Phenylpropanoic acids

Organic compounds consisting of a carboxylic acid with the formula: C9H10O2; also known as hydrocinnamic acid. They are widely used in cosmetics, as food additives, and in the pharmaceutical industry.

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Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

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CAS	15687-27-1
Molecular Weight (g/mol)	206.29
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

(S)-(+)-Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 51146-56-6 Molecular Formula: C₁₃H₁₈O₂ Molecular Weight (g/mol): 206.28 MDL Number: MFCD00069289 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

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Specifications

PubChem CID	39912
CAS	51146-56-6
Molecular Weight (g/mol)	206.28
ChEBI	CHEBI:43415
MDL Number	MFCD00069289
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Synonym	s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
IUPAC Name	(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-JTQLQIEISA-N
Molecular Formula	C₁₃H₁₈O₂

3-(4-Bromophenyl)propionic acid, 97%, Thermo Scientific Chemicals

CAS: 1643-30-7 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br

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Specifications

PubChem CID	2735609
CAS	1643-30-7
MDL Number	MFCD01310793
SMILES	C1=CC(=CC=C1CCC(=O)O)Br
Synonym	3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm
IUPAC Name	3-(4-bromophenyl)propanoic acid
InChI Key	NCSTWHYWOVZDOC-UHFFFAOYSA-N

3-(5-Bromo-2-methoxyphenyl)propionic acid, 96%, Thermo Scientific Chemicals

CAS: 82547-30-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.10 MDL Number: MFCD09258907 InChI Key: RCLIOLQUIYTUPY-UHFFFAOYSA-N Synonym: 3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid PubChem CID: 22685184 IUPAC Name: 3-(5-bromo-2-methoxyphenyl)propanoic acid SMILES: COC1=C(CCC(O)=O)C=C(Br)C=C1

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Specifications

PubChem CID	22685184
CAS	82547-30-6
Molecular Weight (g/mol)	259.10
MDL Number	MFCD09258907
SMILES	COC1=C(CCC(O)=O)C=C(Br)C=C1
Synonym	3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid
IUPAC Name	3-(5-bromo-2-methoxyphenyl)propanoic acid
InChI Key	RCLIOLQUIYTUPY-UHFFFAOYSA-N
Molecular Formula	C10H11BrO3

(R)-3-(Boc-amino)-3-phenylpropionic acid, 95%, Thermo Scientific Chemicals

CAS: 161024-80-2 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD01320859 InChI Key: JTNQFJPZRTURSI-LLVKDONJSA-N Synonym: r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid PubChem CID: 7009108 IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

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PubChem CID	7009108
CAS	161024-80-2
Molecular Weight (g/mol)	265.309
MDL Number	MFCD01320859
SMILES	CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym	r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid
IUPAC Name	(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key	JTNQFJPZRTURSI-LLVKDONJSA-N
Molecular Formula	C14H19NO4

Thermo Scientific Chemicals DL-2-Benzylserine, 97%

CAS: 4740-47-0 Molecular Formula: C₁₀H₁₃NO₃ Molecular Weight (g/mol): 195.22 MDL Number: MFCD01863305 InChI Key: ZMNNAJIBOJDHAF-JTQLQIEISA-N Synonym: dl-2-benzylserine,2-amino-3-hydroxy-2-benzylpropanoic acid,alpha-benzyl-dl-serine PubChem CID: 7010088 IUPAC Name: (2S)-2-amino-2-benzyl-3-hydroxypropanoic acid SMILES: C1=CC=C(C=C1)CC(CO)(C(=O)O)N

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Specifications

PubChem CID	7010088
CAS	4740-47-0
Molecular Weight (g/mol)	195.22
MDL Number	MFCD01863305
SMILES	C1=CC=C(C=C1)CC(CO)(C(=O)O)N
Synonym	dl-2-benzylserine,2-amino-3-hydroxy-2-benzylpropanoic acid,alpha-benzyl-dl-serine
IUPAC Name	(2S)-2-amino-2-benzyl-3-hydroxypropanoic acid
InChI Key	ZMNNAJIBOJDHAF-JTQLQIEISA-N
Molecular Formula	C₁₀H₁₃NO₃

3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid, 98%

CAS: 20170-32-5 MDL Number: MFCD00017519 Synonym: 3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid PubChem CID: 88389 IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid

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PubChem CID	88389
CAS	20170-32-5
MDL Number	MFCD00017519
Synonym	3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid
IUPAC Name	3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid

α-Methyl-DL-phenylalanine, 98%, Thermo Scientific™

CAS: 1132-26-9 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.22 MDL Number: MFCD00010512 InChI Key: IRZQDMYEJPNDEN-UHFFFAOYNA-N Synonym: alpha-methyl-dl-phenylalanine,2-amino-2-methyl-3-phenylpropionic acid,alpha-methylphenylalanine,h-dl-me phe-oh,h-alpha-me-dl-phe-oh,+/--2-amino-2-methyl-3-phenylpropionic acid,phenylalanine, alpha-methyl,2-amino-2-methyl-3-phenyl-propanoic acid,h-me-dl-phe-oh,2-methylphenylalanine # PubChem CID: 108055 IUPAC Name: 2-amino-2-methyl-3-phenylpropanoic acid SMILES: CC(C(N)C(O)=O)C1=CC=CC=C1

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PubChem CID	108055
CAS	1132-26-9
Molecular Weight (g/mol)	179.22
MDL Number	MFCD00010512
SMILES	CC(C(N)C(O)=O)C1=CC=CC=C1
Synonym	alpha-methyl-dl-phenylalanine,2-amino-2-methyl-3-phenylpropionic acid,alpha-methylphenylalanine,h-dl-me phe-oh,h-alpha-me-dl-phe-oh,+/--2-amino-2-methyl-3-phenylpropionic acid,phenylalanine, alpha-methyl,2-amino-2-methyl-3-phenyl-propanoic acid,h-me-dl-phe-oh,2-methylphenylalanine #
IUPAC Name	2-amino-2-methyl-3-phenylpropanoic acid
InChI Key	IRZQDMYEJPNDEN-UHFFFAOYNA-N
Molecular Formula	C10H13NO2

(R)-α-Methyltyrosine, 98%, 98% ee, Thermo Scientific™

CAS: 672-86-6 Molecular Formula: C₁₀H₁₃NO₃ Molecular Weight (g/mol): 195.22 InChI Key: NHTGHBARYWONDQ-SNVBAGLBSA-N Synonym: r-alpha-methyltyrosine,alpha-methyl-d-tyr,r-2-amino-3-4-hydroxyphenyl-2-methylpropanoic acid,2r-2-amino-3-4-hydroxyphenyl-2-methylpropanoic acid,alpha-methyl-d-tyrosine,metirosinum inn-latin,metirosina inn-spanish,l-tyrosine, alpha-methyl-,-,d +-metyrosine,metyrosine usan PubChem CID: 12650 IUPAC Name: (2R)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid SMILES: CC(CC1=CC=C(C=C1)O)(C(=O)O)N

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PubChem CID	12650
CAS	672-86-6
Molecular Weight (g/mol)	195.22
SMILES	CC(CC1=CC=C(C=C1)O)(C(=O)O)N
Synonym	r-alpha-methyltyrosine,alpha-methyl-d-tyr,r-2-amino-3-4-hydroxyphenyl-2-methylpropanoic acid,2r-2-amino-3-4-hydroxyphenyl-2-methylpropanoic acid,alpha-methyl-d-tyrosine,metirosinum inn-latin,metirosina inn-spanish,l-tyrosine, alpha-methyl-,-,d +-metyrosine,metyrosine usan
IUPAC Name	(2R)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
InChI Key	NHTGHBARYWONDQ-SNVBAGLBSA-N
Molecular Formula	C₁₀H₁₃NO₃

3-(2,4,6-Trimethoxyphenyl)propionic acid, 96%, Thermo Scientific™

CAS: 74737-05-6 Molecular Formula: C12H16O5 Molecular Weight (g/mol): 240.255 MDL Number: MFCD00045944 InChI Key: LKDSCRCVTKEXRX-UHFFFAOYSA-N Synonym: 3-2,4,6-trimethoxyphenyl propanoic acid,3-2,4,6-trimethoxyphenyl propionic acid,2,4,6-trimethoxyhydrocinnamic acid,3-2,4,6-trimethoxy-phenyl-propionic acid PubChem CID: 3018538 IUPAC Name: 3-(2,4,6-trimethoxyphenyl)propanoic acid SMILES: COC1=CC(=C(C(=C1)OC)CCC(=O)O)OC

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Specifications

PubChem CID	3018538
CAS	74737-05-6
Molecular Weight (g/mol)	240.255
MDL Number	MFCD00045944
SMILES	COC1=CC(=C(C(=C1)OC)CCC(=O)O)OC
Synonym	3-2,4,6-trimethoxyphenyl propanoic acid,3-2,4,6-trimethoxyphenyl propionic acid,2,4,6-trimethoxyhydrocinnamic acid,3-2,4,6-trimethoxy-phenyl-propionic acid
IUPAC Name	3-(2,4,6-trimethoxyphenyl)propanoic acid
InChI Key	LKDSCRCVTKEXRX-UHFFFAOYSA-N
Molecular Formula	C12H16O5

3-(2,4-Dichlorophenyl)propionic acid, 97%, Thermo Scientific™

CAS: 55144-92-8 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.061 MDL Number: MFCD00275605 InChI Key: HLNPVFSCAMKIOD-UHFFFAOYSA-N PubChem CID: 2740915 IUPAC Name: 3-(2,4-dichlorophenyl)propanoic acid SMILES: C1=CC(=C(C=C1Cl)Cl)CCC(=O)O

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Specifications

PubChem CID	2740915
CAS	55144-92-8
Molecular Weight (g/mol)	219.061
MDL Number	MFCD00275605
SMILES	C1=CC(=C(C=C1Cl)Cl)CCC(=O)O
IUPAC Name	3-(2,4-dichlorophenyl)propanoic acid
InChI Key	HLNPVFSCAMKIOD-UHFFFAOYSA-N
Molecular Formula	C9H8Cl2O2

3-(2,4-Dichlorophenyl)propanoic acid, 97%, Thermo Scientific™

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Specifications

PubChem CID	2740915
CAS	55144-92-8
Molecular Weight (g/mol)	219.061
MDL Number	MFCD00275605
SMILES	C1=CC(=C(C=C1Cl)Cl)CCC(=O)O
IUPAC Name	3-(2,4-dichlorophenyl)propanoic acid
InChI Key	HLNPVFSCAMKIOD-UHFFFAOYSA-N
Molecular Formula	C9H8Cl2O2

3-(2,3-Dimethoxyphenyl)propionic acid, 96%, Thermo Scientific™

CAS: 10538-48-4 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00029821 InChI Key: QPHAUUNQQLRYCJ-UHFFFAOYSA-N PubChem CID: 314929 IUPAC Name: 3-(2,3-dimethoxyphenyl)propanoic acid SMILES: COC1=CC=CC(=C1OC)CCC(=O)O

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Specifications

PubChem CID	314929
CAS	10538-48-4
Molecular Weight (g/mol)	210.229
MDL Number	MFCD00029821
SMILES	COC1=CC=CC(=C1OC)CCC(=O)O
IUPAC Name	3-(2,3-dimethoxyphenyl)propanoic acid
InChI Key	QPHAUUNQQLRYCJ-UHFFFAOYSA-N
Molecular Formula	C11H14O4

3-[3-(Difluoromethoxy)phenyl]propionic acid, 97%, Thermo Scientific™

CAS: 1092460-66-6 Molecular Formula: C10H10F2O3 Molecular Weight (g/mol): 216.184 MDL Number: MFCD11519314 InChI Key: GWTSEGFRVOHJSG-UHFFFAOYSA-N Synonym: 3-3-difluoromethoxy phenyl propionic acid,3-3-difluoromethoxy phenyl propanoic acid,3-3-difluoromethoxy-phenyl-propionic acid,3-3-difluoromethoxy phenyl propionic acid, jrd PubChem CID: 57368011 IUPAC Name: 3-[3-(difluoromethoxy)phenyl]propanoic acid SMILES: C1=CC(=CC(=C1)OC(F)F)CCC(=O)O

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Specifications

PubChem CID	57368011
CAS	1092460-66-6
Molecular Weight (g/mol)	216.184
MDL Number	MFCD11519314
SMILES	C1=CC(=CC(=C1)OC(F)F)CCC(=O)O
Synonym	3-3-difluoromethoxy phenyl propionic acid,3-3-difluoromethoxy phenyl propanoic acid,3-3-difluoromethoxy-phenyl-propionic acid,3-3-difluoromethoxy phenyl propionic acid, jrd
IUPAC Name	3-[3-(difluoromethoxy)phenyl]propanoic acid
InChI Key	GWTSEGFRVOHJSG-UHFFFAOYSA-N
Molecular Formula	C10H10F2O3

3-[3-(Trifluoromethoxy)phenyl]propionic acid, 95%, Thermo Scientific™

CAS: 168833-77-0 Molecular Formula: C10H9F3O3 Molecular Weight (g/mol): 234.174 MDL Number: MFCD01317834 InChI Key: WGEVFUNNEITJFQ-UHFFFAOYSA-N Synonym: 3-3-trifluoromethoxy phenyl propanoic acid,3-trifluoromethoxy hydrocinnamic acid,3-3'-trifluoromethoxyphenyl-propionic acid,3-trifluoromethoxy-benzenepropanoic acid,3-3-trifluoromethoxy phenyl propionic acid,benzenepropanoic acid,3-trifluoromethoxy,acmc-20anhz,intermediates-zcf02259,3-trifluoromethoxypropionic acid PubChem CID: 2777288 IUPAC Name: 3-[3-(trifluoromethoxy)phenyl]propanoic acid SMILES: C1=CC(=CC(=C1)OC(F)(F)F)CCC(=O)O

Pricing and Availability
Specifications

PubChem CID	2777288
CAS	168833-77-0
Molecular Weight (g/mol)	234.174
MDL Number	MFCD01317834
SMILES	C1=CC(=CC(=C1)OC(F)(F)F)CCC(=O)O
Synonym	3-3-trifluoromethoxy phenyl propanoic acid,3-trifluoromethoxy hydrocinnamic acid,3-3'-trifluoromethoxyphenyl-propionic acid,3-trifluoromethoxy-benzenepropanoic acid,3-3-trifluoromethoxy phenyl propionic acid,benzenepropanoic acid,3-trifluoromethoxy,acmc-20anhz,intermediates-zcf02259,3-trifluoromethoxypropionic acid
IUPAC Name	3-[3-(trifluoromethoxy)phenyl]propanoic acid
InChI Key	WGEVFUNNEITJFQ-UHFFFAOYSA-N
Molecular Formula	C10H9F3O3

Phenylpropanoic acids

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