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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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1 – 15 of 35 results
1

Ibuprofen, USP grade, MP Biomedicals™

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

PubChem CID 3672
CAS 15687-27-1
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:5855
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
2

D-Alpha-Methyl DOPA, TRC

CAS: 2799-15-7 Molecular Formula: C10H13NO4 Molecular Weight (g/mol): 211.21 Synonym: D-Tyrosine, 3-hydroxy-α-methyl-,Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, D- (8CI),3-Hydroxy-α-methyl-D-tyrosine,(+)-α-Methyldopa,D-(3,4-Dihydroxyphenyl)-2-methylalanine,D-Methyldopa,D-α-Methyl-3-(3,4-dihydroxyphenyl)alanine,D-α-Methyldopa IUPAC Name: (2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid SMILES: C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O

CAS 2799-15-7
Molecular Weight (g/mol) 211.21
SMILES C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O
Synonym D-Tyrosine, 3-hydroxy-α-methyl-,Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, D- (8CI),3-Hydroxy-α-methyl-D-tyrosine,(+)-α-Methyldopa,D-(3,4-Dihydroxyphenyl)-2-methylalanine,D-Methyldopa,D-α-Methyl-3-(3,4-dihydroxyphenyl)alanine,D-α-Methyldopa
IUPAC Name (2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
Molecular Formula C10H13NO4
3

3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoic Acid, TRC

CAS: 14897-78-0 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.23 IUPAC Name: 3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid SMILES: COc1cc(CCC(=O)O)cc(OC)c1O

CAS 14897-78-0
Molecular Weight (g/mol) 226.23
SMILES COc1cc(CCC(=O)O)cc(OC)c1O
IUPAC Name 3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid
Molecular Formula C11H14O5
4

3-Phenylglutaric Acid, TRC

CAS: 4165-96-2 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 Synonym: beta-Phenylglutaric Acid,3-Phenylpentanedioic Acid IUPAC Name: 3-phenylpentanedioic acid SMILES: OC(=O)CC(CC(=O)O)c1ccccc1

CAS 4165-96-2
Molecular Weight (g/mol) 208.21
SMILES OC(=O)CC(CC(=O)O)c1ccccc1
Synonym beta-Phenylglutaric Acid,3-Phenylpentanedioic Acid
IUPAC Name 3-phenylpentanedioic acid
Molecular Formula C11H12O4
5

Hydrocinnamic acid, 99%

CAS: 501-52-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

PubChem CID 107
CAS 501-52-0
Molecular Weight (g/mol) 150.18
ChEBI CHEBI:28631
MDL Number MFCD00002771
SMILES C1=CC=C(C=C1)CCC(=O)O
Synonym hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid
IUPAC Name 3-phenylpropanoic acid
InChI Key XMIIGOLPHOKFCH-UHFFFAOYSA-N
Molecular Formula C9H10O2
6

2-(p-sec-Butylphenyl)propionic Acid, TRC

CAS: 64451-76-9 Molecular Formula: C13 H18 O2 Molecular Weight (g/mol): 206.28 Synonym: 2-[4-(1-Methylpropyl)-phenyl]propanoic Acid,Ibuprofen Imp. O (EP) IUPAC Name: 2-(4-butan-2-ylphenyl)propanoic acid SMILES: CCC(C)c1ccc(cc1)C(C)C(=O)O

CAS 64451-76-9
Molecular Weight (g/mol) 206.28
SMILES CCC(C)c1ccc(cc1)C(C)C(=O)O
Synonym 2-[4-(1-Methylpropyl)-phenyl]propanoic Acid,Ibuprofen Imp. O (EP)
IUPAC Name 2-(4-butan-2-ylphenyl)propanoic acid
Molecular Formula C13 H18 O2
7

2-Bromo (S)-Carbidopa, TRC

CAS: 43197-33-7 Molecular Formula: C10H13BrN2O4 Molecular Weight (g/mol): 305.13 Synonym: (S)-2-Bromo-alpha-hydrazino-4,5-dihydroxy-alpha-methylbenzenepropanoic Acid IUPAC Name: (2S)-3-(2-bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid SMILES: C[C@@](Cc1cc(O)c(O)cc1Br)(NN)C(=O)O

CAS 43197-33-7
Molecular Weight (g/mol) 305.13
SMILES C[C@@](Cc1cc(O)c(O)cc1Br)(NN)C(=O)O
Synonym (S)-2-Bromo-alpha-hydrazino-4,5-dihydroxy-alpha-methylbenzenepropanoic Acid
IUPAC Name (2S)-3-(2-bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Molecular Formula C10H13BrN2O4
8

m-Isobutyl Ibuprofen, TRC

CAS: 66622-47-7 Molecular Formula: C13 H18 O2 Molecular Weight (g/mol): 206.28 Synonym: (2RS)-2-[3-(2-Methylpropyl)phenyl]propanoic Acid,Ibuprofen Imp. A (EP) IUPAC Name: 2-[3-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)Cc1cccc(c1)C(C)C(=O)O

CAS 66622-47-7
Molecular Weight (g/mol) 206.28
SMILES CC(C)Cc1cccc(c1)C(C)C(=O)O
Synonym (2RS)-2-[3-(2-Methylpropyl)phenyl]propanoic Acid,Ibuprofen Imp. A (EP)
IUPAC Name 2-[3-(2-methylpropyl)phenyl]propanoic acid
Molecular Formula C13 H18 O2
9

3-(4-Isobutylphenyl)propanoic Acid, TRC

CAS: 65322-85-2 Molecular Formula: C13 H18 O2 Molecular Weight (g/mol): 206.28 Synonym: 3-[4-(2-Methylpropyl)phenyl]propanoic Acid,Ibuprofen Imp. F (EP) IUPAC Name: 3-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)Cc1ccc(CCC(=O)O)cc1

CAS 65322-85-2
Molecular Weight (g/mol) 206.28
SMILES CC(C)Cc1ccc(CCC(=O)O)cc1
Synonym 3-[4-(2-Methylpropyl)phenyl]propanoic Acid,Ibuprofen Imp. F (EP)
IUPAC Name 3-[4-(2-methylpropyl)phenyl]propanoic acid
Molecular Formula C13 H18 O2
10

rac cis-Loxoprofen Alcohol, TRC

CAS: 371753-20-7 Molecular Formula: C15H20O3 Molecular Weight (g/mol): 248.32 Synonym: rel-4-[[(1R,2R)-2-Hydroxycyclopentyl]methyl]-alpha-methylbenzeneacetic Acid; IUPAC Name: 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid SMILES: CC(C(=O)O)c1ccc(C[C@H]2CCC[C@H]2O)cc1

CAS 371753-20-7
Molecular Weight (g/mol) 248.32
SMILES CC(C(=O)O)c1ccc(C[C@H]2CCC[C@H]2O)cc1
Synonym rel-4-[[(1R,2R)-2-Hydroxycyclopentyl]methyl]-alpha-methylbenzeneacetic Acid;
IUPAC Name 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
Molecular Formula C15H20O3
11

O,alpha-Dimethyl-DL-tyrosine, TRC

CAS: 7383-30-4 Molecular Formula: C11 H15 N O3 Molecular Weight (g/mol): 209.24 Synonym: Tyrosine, O,α-dimethyl-,Alanine, 3-(p-methoxyphenyl)-2-methyl-, DL- (8CI),DL-Tyrosine, O,α-dimethyl-,O,α-Dimethyltyrosine,2-Amino-3-(4-methoxyphenyl)-2-methylpropanoic acid IUPAC Name: 2-amino-3-(4-methoxyphenyl)-2-methylpropanoic acid SMILES: COc1ccc(CC(C)(N)C(=O)O)cc1

CAS 7383-30-4
Molecular Weight (g/mol) 209.24
SMILES COc1ccc(CC(C)(N)C(=O)O)cc1
Synonym Tyrosine, O,α-dimethyl-,Alanine, 3-(p-methoxyphenyl)-2-methyl-, DL- (8CI),DL-Tyrosine, O,α-dimethyl-,O,α-Dimethyltyrosine,2-Amino-3-(4-methoxyphenyl)-2-methylpropanoic acid
IUPAC Name 2-amino-3-(4-methoxyphenyl)-2-methylpropanoic acid
Molecular Formula C11 H15 N O3
12

3-(4-Chlorophenyl)glutaramic Acid, TRC

CAS: 1141-23-7 Molecular Formula: C11 H12 Cl N O3 Molecular Weight (g/mol): 241.67 Synonym: (3RS)-5-Amino-3-(4-chlorophenyl)-5-oxopentanoic Acid,Baclofen Imp. B (EP) IUPAC Name: 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid SMILES: NC(=O)CC(CC(=O)O)c1ccc(Cl)cc1

CAS 1141-23-7
Molecular Weight (g/mol) 241.67
SMILES NC(=O)CC(CC(=O)O)c1ccc(Cl)cc1
Synonym (3RS)-5-Amino-3-(4-chlorophenyl)-5-oxopentanoic Acid,Baclofen Imp. B (EP)
IUPAC Name 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid
Molecular Formula C11 H12 Cl N O3
13

Ibuprofen Carboxylic Acid-d3 (Mixture of Diastereomers), TRC

CAS: 1216505-29-1 Molecular Formula: C13H13D3O4 Molecular Weight (g/mol): 239.28 Synonym: 4-(1-Carboxyethyl)-α-methylbenzenepropanoic Acid-d3,2,4’-(2-Carboxypropyl)phenylpropionic Acid-d3,2-[4-(2-Carboxypropyl)phenyl]propionic Acid-d3,Carboxyibuprofen-d3; SMILES: O=C(O)C(C)CC1=CC=C(C(C([2H])([2H])[2H])C(O)=O)C=C1

CAS 1216505-29-1
Molecular Weight (g/mol) 239.28
SMILES O=C(O)C(C)CC1=CC=C(C(C([2H])([2H])[2H])C(O)=O)C=C1
Synonym 4-(1-Carboxyethyl)-α-methylbenzenepropanoic Acid-d3,2,4’-(2-Carboxypropyl)phenylpropionic Acid-d3,2-[4-(2-Carboxypropyl)phenyl]propionic Acid-d3,Carboxyibuprofen-d3;
Molecular Formula C13H13D3O4
14

rac trans-Loxoprofen Alcohol, TRC

CAS: 371753-19-4 Molecular Formula: C15H20O3 Molecular Weight (g/mol): 248.32 Synonym: rel-4-[[(1R,2S)-2-Hydroxycyclopentyl]methyl]-α-methylbenzeneacetic Acid; IUPAC Name: 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid SMILES: O[C@H]1CCC[C@@H]1CC2=CC=C(C(C)C(O)=O)C=C2

CAS 371753-19-4
Molecular Weight (g/mol) 248.32
SMILES O[C@H]1CCC[C@@H]1CC2=CC=C(C(C)C(O)=O)C=C2
Synonym rel-4-[[(1R,2S)-2-Hydroxycyclopentyl]methyl]-α-methylbenzeneacetic Acid;
IUPAC Name 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
Molecular Formula C15H20O3
15

3-O-Methyl Carbidopa, TRC

CAS: 85933-19-3 Molecular Formula: C11 H16 N2 O4 Molecular Weight (g/mol): 240.26 Synonym: α-Hydrazinyl-4-hydroxy-3-methoxy-α-methyl-benzenepropanoic acid,Benzenepropanoic acid, α-hydrazino-4-hydroxy-3-methoxy-α-methyl- (9CI),Hydrocinnamic acid, α-hydrazino-4-hydroxy-3-methoxy-α-methyl- (7CI) IUPAC Name: 2-hydrazinyl-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid SMILES: COc1cc(CC(C)(NN)C(=O)O)ccc1O

CAS 85933-19-3
Molecular Weight (g/mol) 240.26
SMILES COc1cc(CC(C)(NN)C(=O)O)ccc1O
Synonym α-Hydrazinyl-4-hydroxy-3-methoxy-α-methyl-benzenepropanoic acid,Benzenepropanoic acid, α-hydrazino-4-hydroxy-3-methoxy-α-methyl- (9CI),Hydrocinnamic acid, α-hydrazino-4-hydroxy-3-methoxy-α-methyl- (7CI)
IUPAC Name 2-hydrazinyl-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
Molecular Formula C11 H16 N2 O4