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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Cinnamaldehydes (29)
Cinnamic acids and derivatives (141)
Cinnamyl alcohols (11)
Coumarins and derivatives (3)
Depsides and depsidones (50)
Diarylheptanoids (9)
Flavonoids (69)
Isoflavonoids (11)
Linear 1 3-diarylpropanoids (79)
Ochratoxins and related substances (4)
Phenylpropanoic acids (269)
Stilbenes (30)

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1 – 15 of 317 results
1

Phenyl salicylate, 99%

CAS: 118-55-8 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

PubChem CID 8361
CAS 118-55-8
Molecular Weight (g/mol) 214.22
ChEBI CHEBI:34918
SMILES C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate
IUPAC Name phenyl 2-hydroxybenzoate
InChI Key ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Molecular Formula C13H10O3
2

Phenyl benzoate, 99%

CAS: 93-99-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00003072 InChI Key: FCJSHPDYVMKCHI-UHFFFAOYSA-N Synonym: benzoic acid phenyl ester,diphenylcarboxylate,benzoic acid, phenyl ester,benzoic acid phenyl,phenylbenzoate,unii-b8a3wvz590,phenol, benzoate,dsstox_cid_28185,dsstox_rid_82744,dsstox_gsid_48210 PubChem CID: 7169 ChEBI: CHEBI:86919 IUPAC Name: phenyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

PubChem CID 7169
CAS 93-99-2
Molecular Weight (g/mol) 198.22
ChEBI CHEBI:86919
MDL Number MFCD00003072
SMILES C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Synonym benzoic acid phenyl ester,diphenylcarboxylate,benzoic acid, phenyl ester,benzoic acid phenyl,phenylbenzoate,unii-b8a3wvz590,phenol, benzoate,dsstox_cid_28185,dsstox_rid_82744,dsstox_gsid_48210
IUPAC Name phenyl benzoate
InChI Key FCJSHPDYVMKCHI-UHFFFAOYSA-N
Molecular Formula C13H10O2
3

Phenyl salicylate, 99%

CAS: 118-55-8 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002213 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

PubChem CID 8361
CAS 118-55-8
Molecular Weight (g/mol) 214.22
ChEBI CHEBI:34918
MDL Number MFCD00002213
SMILES C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate
IUPAC Name phenyl 2-hydroxybenzoate
InChI Key ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Molecular Formula C13H10O3
4

3-[4-(Benzyloxy)phenyl]propionic acid, 96%

CAS: 50463-48-4 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD01570264 InChI Key: QTSAUVQZNADEKS-UHFFFAOYSA-N Synonym: 3-4-benzyloxyphenyl propionic acid,3-4-benzyloxy phenyl propanoic acid,3-4-benzyloxy phenyl propionic acid,benzyloxyphenylpropanoic acid,3-4-benzyloxyphenyl propanoic acid,3-4-benzyloxy-phenyl-propionic acid,benzenepropanoic acid, 4-phenylmethoxy,maybridge3_003480,4-benzyloxy benzenepropanoic acid PubChem CID: 561372 IUPAC Name: 3-(4-phenylmethoxyphenyl)propanoic acid SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CCC(=O)O

PubChem CID 561372
CAS 50463-48-4
Molecular Weight (g/mol) 256.301
MDL Number MFCD01570264
SMILES C1=CC=C(C=C1)COC2=CC=C(C=C2)CCC(=O)O
Synonym 3-4-benzyloxyphenyl propionic acid,3-4-benzyloxy phenyl propanoic acid,3-4-benzyloxy phenyl propionic acid,benzyloxyphenylpropanoic acid,3-4-benzyloxyphenyl propanoic acid,3-4-benzyloxy-phenyl-propionic acid,benzenepropanoic acid, 4-phenylmethoxy,maybridge3_003480,4-benzyloxy benzenepropanoic acid
IUPAC Name 3-(4-phenylmethoxyphenyl)propanoic acid
InChI Key QTSAUVQZNADEKS-UHFFFAOYSA-N
Molecular Formula C16H16O3
5

3-[3-(Benzyloxy)phenyl]propionic acid, 96%

CAS: 57668-34-5 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD09258905 InChI Key: HVXOYUOKPLHWNU-UHFFFAOYSA-N Synonym: 3-3-benzyloxy phenyl propanoic acid,benzenepropanoic acid, 3-phenylmethoxy,3-3-benzyloxy-phenyl-propanoic acid,3-3-benzyloxy phenyl propionic acid,3-3-phenylmethyl oxy phenyl propanoic acid PubChem CID: 21938504 IUPAC Name: 3-(3-phenylmethoxyphenyl)propanoic acid SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)CCC(=O)O

PubChem CID 21938504
CAS 57668-34-5
Molecular Weight (g/mol) 256.301
MDL Number MFCD09258905
SMILES C1=CC=C(C=C1)COC2=CC=CC(=C2)CCC(=O)O
Synonym 3-3-benzyloxy phenyl propanoic acid,benzenepropanoic acid, 3-phenylmethoxy,3-3-benzyloxy-phenyl-propanoic acid,3-3-benzyloxy phenyl propionic acid,3-3-phenylmethyl oxy phenyl propanoic acid
IUPAC Name 3-(3-phenylmethoxyphenyl)propanoic acid
InChI Key HVXOYUOKPLHWNU-UHFFFAOYSA-N
Molecular Formula C16H16O3
6

2-[4-(Bromomethyl)phenyl]propionic acid, 96%

CAS: 111128-12-2 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 MDL Number: MFCD02093445 InChI Key: QQXBRVQJMKBAOZ-UHFFFAOYSA-N Synonym: 2-4-bromomethyl phenyl propanoic acid,2-4-bromomethyl phenyl propionic acid,2-4-bromomethyl phenylpropionic acid,2-4-bromomethyl-phenyl-propionic acid,4-bromomethyl hydratropic acid,2-4-bromomethyl phenyl propanic acid,2-p-bromomethyl phenyl propionic acid,2-4'-bromomethylphenyl propionic acid,2-4-bromomethyl phenylproplonic acid PubChem CID: 2733978 IUPAC Name: 2-[4-(bromomethyl)phenyl]propanoic acid SMILES: CC(C1=CC=C(C=C1)CBr)C(=O)O

PubChem CID 2733978
CAS 111128-12-2
Molecular Weight (g/mol) 243.1
MDL Number MFCD02093445
SMILES CC(C1=CC=C(C=C1)CBr)C(=O)O
Synonym 2-4-bromomethyl phenyl propanoic acid,2-4-bromomethyl phenyl propionic acid,2-4-bromomethyl phenylpropionic acid,2-4-bromomethyl-phenyl-propionic acid,4-bromomethyl hydratropic acid,2-4-bromomethyl phenyl propanic acid,2-p-bromomethyl phenyl propionic acid,2-4'-bromomethylphenyl propionic acid,2-4-bromomethyl phenylproplonic acid
IUPAC Name 2-[4-(bromomethyl)phenyl]propanoic acid
InChI Key QQXBRVQJMKBAOZ-UHFFFAOYSA-N
Molecular Formula C10H11BrO2
7

3-[4-(Trifluoromethoxy)phenyl]acrylic acid, 97%, Thermo Scientific™

CAS: 783-13-1 Molecular Formula: C10H7F3O3 Molecular Weight (g/mol): 232.158 MDL Number: MFCD00066338 InChI Key: RNYVTJANWYBGPW-ZZXKWVIFSA-N Synonym: 3-4-trifluoromethoxy phenyl acrylic acid,4-trifluoromethoxy cinnamic acid,e-3-4-trifluoromethoxy phenyl acrylic acid,e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,2e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,3-4-trifluoromethoxyphenyl acrylic acid,trifluoromethoxyphenylacrylicacid,trans-4-trifluoromethoxy cinnamic acid PubChem CID: 735857 IUPAC Name: (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F

PubChem CID 735857
CAS 783-13-1
Molecular Weight (g/mol) 232.158
MDL Number MFCD00066338
SMILES C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F
Synonym 3-4-trifluoromethoxy phenyl acrylic acid,4-trifluoromethoxy cinnamic acid,e-3-4-trifluoromethoxy phenyl acrylic acid,e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,2e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,3-4-trifluoromethoxyphenyl acrylic acid,trifluoromethoxyphenylacrylicacid,trans-4-trifluoromethoxy cinnamic acid
IUPAC Name (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
InChI Key RNYVTJANWYBGPW-ZZXKWVIFSA-N
Molecular Formula C10H7F3O3
8

trans-2-Methyl-3-phenyl-2-propen-1-ol, 95%

CAS: 1504-55-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 InChI Key: LLNAMUJRIZIXHF-VQHVLOKHSA-N Synonym: 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol PubChem CID: 6393846 IUPAC Name: (E)-2-methyl-3-phenylprop-2-en-1-ol SMILES: CC(=CC1=CC=CC=C1)CO

PubChem CID 6393846
CAS 1504-55-8
Molecular Weight (g/mol) 148.2
SMILES CC(=CC1=CC=CC=C1)CO
Synonym 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol
IUPAC Name (E)-2-methyl-3-phenylprop-2-en-1-ol
InChI Key LLNAMUJRIZIXHF-VQHVLOKHSA-N
Molecular Formula C10H12O
10

Phenyl Benzoate, TRC

CAS: 93-99-2 Molecular Formula: C13 H10 O2 Molecular Weight (g/mol): 198.22 Synonym: Phenyl Benzoate,Benzoic acid, phenyl ester,Phenol, benzoate (7CI),NSC 37086,Phenoxy phenyl ketone,Phenyl benzoate,Phenyl ester benzoic acid IUPAC Name: phenyl benzoate SMILES: O=C(Oc1ccccc1)c2ccccc2

CAS 93-99-2
Molecular Weight (g/mol) 198.22
SMILES O=C(Oc1ccccc1)c2ccccc2
Synonym Phenyl Benzoate,Benzoic acid, phenyl ester,Phenol, benzoate (7CI),NSC 37086,Phenoxy phenyl ketone,Phenyl benzoate,Phenyl ester benzoic acid
IUPAC Name phenyl benzoate
Molecular Formula C13 H10 O2
11

Phenyl 4-Aminosalicylate, TRC

CAS: 133-11-9 Molecular Formula: C13H11NO3 Molecular Weight (g/mol): 229.23 Synonym: FR 7,Fenamisal,NSC 40144,PAS-Tebamin,Pheny-PAS-Tebamin,Phenyl 4-Amino-2-hydroxybenzoate,Phenyl 4-Aminosalicylate,Phenyl PAS,Phenyl Aminosalicylate,Phenyl p-Aminosalicylate,Phenyl-PAS-Tebamin,Tebamin,Tebamin-Leo,Tebanyl,p-Aminosalicylic Acid Phenyl Ester,p-Aminosalol,4-Amino-2-hydroxybenzoic Acid Phenyl Ester,4-Aminosalicylic Acid Phenyl Ester IUPAC Name: phenyl 4-amino-2-hydroxybenzoate SMILES: Nc1ccc(C(=O)Oc2ccccc2)c(O)c1

CAS 133-11-9
Molecular Weight (g/mol) 229.23
SMILES Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
Synonym FR 7,Fenamisal,NSC 40144,PAS-Tebamin,Pheny-PAS-Tebamin,Phenyl 4-Amino-2-hydroxybenzoate,Phenyl 4-Aminosalicylate,Phenyl PAS,Phenyl Aminosalicylate,Phenyl p-Aminosalicylate,Phenyl-PAS-Tebamin,Tebamin,Tebamin-Leo,Tebanyl,p-Aminosalicylic Acid Phenyl Ester,p-Aminosalol,4-Amino-2-hydroxybenzoic Acid Phenyl Ester,4-Aminosalicylic Acid Phenyl Ester
IUPAC Name phenyl 4-amino-2-hydroxybenzoate
Molecular Formula C13H11NO3
12

Phenyl 4-Hydroxybenzoate, TRC

CAS: 17696-62-7 Molecular Weight (g/mol): 214.22

CAS 17696-62-7
Molecular Weight (g/mol) 214.22
13

(2E)-3-Phenyl-2-propenoic Acid, TRC

CAS: 140-10-3 Molecular Formula: C9 H8 O2 Molecular Weight (g/mol): 148.16 Synonym: 2-Propenoic acid, 3-phenyl-, (2E)- (9CI, ACI),(2E)-3-Phenyl-2-propenoic acid (ACI),2-Propenoic acid, 3-phenyl-, (E)- (ZCI),Cinnamic acid, (E)- (8CI),(2E)-2-Phenyl-2-propenoic acid,(2E)-3-Phenylprop-2-enoic acid,(2E)-Cinnamic acid,(E)-3-Phenyl-2-propenoic acid,(E)-3-Phenylacrylic acid,(E)-3-Phenylacrylic acid,(E)-3-Phenylprop-2-enoic acid,(E)-Cinnamic acid,3-Phenyl-(E)-2-propenoic acid,NSC 44010,trans-3-Phenyl-2-propenoic acid,trans-3-Phenylacrylic acid,trans-Cinnamic acid,trans-Cinnamic acid,trans-β-Carboxystyrene IUPAC Name: (E)-3-phenylprop-2-enoic acid SMILES: OC(=O)\C=C\c1ccccc1

CAS 140-10-3
Molecular Weight (g/mol) 148.16
SMILES OC(=O)\C=C\c1ccccc1
Synonym 2-Propenoic acid, 3-phenyl-, (2E)- (9CI, ACI),(2E)-3-Phenyl-2-propenoic acid (ACI),2-Propenoic acid, 3-phenyl-, (E)- (ZCI),Cinnamic acid, (E)- (8CI),(2E)-2-Phenyl-2-propenoic acid,(2E)-3-Phenylprop-2-enoic acid,(2E)-Cinnamic acid,(E)-3-Phenyl-2-propenoic acid,(E)-3-Phenylacrylic acid,(E)-3-Phenylacrylic acid,(E)-3-Phenylprop-2-enoic acid,(E)-Cinnamic acid,3-Phenyl-(E)-2-propenoic acid,NSC 44010,trans-3-Phenyl-2-propenoic acid,trans-3-Phenylacrylic acid,trans-Cinnamic acid,trans-Cinnamic acid,trans-β-Carboxystyrene
IUPAC Name (E)-3-phenylprop-2-enoic acid
Molecular Formula C9 H8 O2
14

1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanone, TRC

CAS: 1258428-71-5 Molecular Formula: C29 H26 Cl N O2 Molecular Weight (g/mol): 455.98 Synonym: 1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanone,Montelukast Impurity 1 IUPAC Name: 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-one SMILES: CC(C)(O)c1ccccc1CCC(=O)c2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2

CAS 1258428-71-5
Molecular Weight (g/mol) 455.98
SMILES CC(C)(O)c1ccccc1CCC(=O)c2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2
Synonym 1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanone,Montelukast Impurity 1
IUPAC Name 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-one
Molecular Formula C29 H26 Cl N O2
15

(E)-3-(3-(Trifluoromethyl)phenyl)acrylaldehyde (>90%), TRC

CAS: 262268-58-6 Molecular Formula: C10H7F3O Molecular Weight (g/mol): 200.16 Synonym: (2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenal,(2E)-3-[3-(Trifluoromethyl)phenyl]prop-2-enal IUPAC Name: (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enal SMILES: FC(F)(F)c1cccc(\C=C\C=O)c1

CAS 262268-58-6
Molecular Weight (g/mol) 200.16
SMILES FC(F)(F)c1cccc(\C=C\C=O)c1
Synonym (2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenal,(2E)-3-[3-(Trifluoromethyl)phenyl]prop-2-enal
IUPAC Name (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enal
Molecular Formula C10H7F3O