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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.
Flavonoids (890)
Cinnamic acids and derivatives (865)
Coumarins and derivatives (685)
Linear 1 3-diarylpropanoids (472)
Phenylpropanoic acids (332)
Depsides and depsidones (304)
Isoflavonoids (206)
Cinnamaldehydes (119)
Stilbenes (105)
Macrolide lactams (84)
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Cinnamyl alcohols (60)
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Macrolactams (22)
Dihydrocoumarins (16)
Neoflavonoids (14)
Ochratoxins and related substances (11)
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481 – 495 of 3,687 results
481

3,4'-Dihydroxyflavone 97.0+%, TCI America™

CAS: 14919-49-4 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00017690 InChI Key: GPGOCTLAUAHUQO-UHFFFAOYSA-N Synonym: 3,4'-dihydroxyflavone,3-hydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,3-hydroxy-2-4-hydroxyphenyl chromen-4-one,3-hydroxy-2-4-hydroxy-phenyl-chromen-4-one,4'-hydroxyflavonol,acmc-20anf1,3,4/'-dihydroxyflavone,spectrum1505138,3-hydroxy-2-4-hydroxyphenyl chromone,4h-1-benzopyran-4-one,3-hydroxy-2-4-hydroxyphenyl PubChem CID: 688715 IUPAC Name: 3-hydroxy-2-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O

PubChem CID 688715
CAS 14919-49-4
Molecular Weight (g/mol) 254.241
MDL Number MFCD00017690
SMILES C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O
Synonym 3,4'-dihydroxyflavone,3-hydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,3-hydroxy-2-4-hydroxyphenyl chromen-4-one,3-hydroxy-2-4-hydroxy-phenyl-chromen-4-one,4'-hydroxyflavonol,acmc-20anf1,3,4/'-dihydroxyflavone,spectrum1505138,3-hydroxy-2-4-hydroxyphenyl chromone,4h-1-benzopyran-4-one,3-hydroxy-2-4-hydroxyphenyl
IUPAC Name 3-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI Key GPGOCTLAUAHUQO-UHFFFAOYSA-N
Molecular Formula C15H10O4
482

3-Aminocoumarin 98.0+%, TCI America™

CAS: 1635-31-0 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00016965 InChI Key: QWZHDKGQKYEBKK-UHFFFAOYSA-N Synonym: 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous PubChem CID: 74217 IUPAC Name: 3-aminochromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)N

PubChem CID 74217
CAS 1635-31-0
Molecular Weight (g/mol) 161.16
MDL Number MFCD00016965
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)N
Synonym 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous
IUPAC Name 3-aminochromen-2-one
InChI Key QWZHDKGQKYEBKK-UHFFFAOYSA-N
Molecular Formula C9H7NO2
483

trans-2,4-Dichlorocinnamic Acid 98.0+%, TCI America™

CAS: 20595-45-3 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD00004373 InChI Key: MEBWABJHRAYGFW-DUXPYHPUSA-N Synonym: 2,4-dichlorocinnamic acid,trans-2,4-dichlorocinnamic acid,e-3-2,4-dichlorophenyl acrylic acid,cinnamic acid, 2,4-dichloro,3-2,4-dichlorophenyl-2-propenoic acid,unii-c09kk5d2t2,2-propenoic acid, 3-2,4-dichlorophenyl-, 2e,2e-3-2,4-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,4-dichlorophenyl,2e-3-2,4-dichlorophenyl prop-2-enoic acid PubChem CID: 688026 IUPAC Name: (E)-3-(2,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O

PubChem CID 688026
CAS 20595-45-3
Molecular Weight (g/mol) 217.045
MDL Number MFCD00004373
SMILES C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O
Synonym 2,4-dichlorocinnamic acid,trans-2,4-dichlorocinnamic acid,e-3-2,4-dichlorophenyl acrylic acid,cinnamic acid, 2,4-dichloro,3-2,4-dichlorophenyl-2-propenoic acid,unii-c09kk5d2t2,2-propenoic acid, 3-2,4-dichlorophenyl-, 2e,2e-3-2,4-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,4-dichlorophenyl,2e-3-2,4-dichlorophenyl prop-2-enoic acid
IUPAC Name (E)-3-(2,4-dichlorophenyl)prop-2-enoic acid
InChI Key MEBWABJHRAYGFW-DUXPYHPUSA-N
Molecular Formula C9H6Cl2O2
484

2'-Hydroxy-2-methoxychalcone 98.0+%, TCI America™

CAS: 42220-77-9 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.285 MDL Number: MFCD00016443 InChI Key: SNTIPKTZVAKPOX-ZHACJKMWSA-N Synonym: 2-(2-Methoxybenzylidene)-2′C-hydroxyacetophenone PubChem CID: 5709142 IUPAC Name: (E)-1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one SMILES: COC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2O

PubChem CID 5709142
CAS 42220-77-9
Molecular Weight (g/mol) 254.285
MDL Number MFCD00016443
SMILES COC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2O
Synonym 2-(2-Methoxybenzylidene)-2′C-hydroxyacetophenone
IUPAC Name (E)-1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
InChI Key SNTIPKTZVAKPOX-ZHACJKMWSA-N
Molecular Formula C16H14O3
485

4-Butyl-4'-hydroxychalcone 98.0+%, TCI America™

CAS: 385810-21-9 Molecular Formula: C19H20O2 Molecular Weight (g/mol): 280.367 MDL Number: MFCD08276309 InChI Key: LFLVYHVGNKJGBV-UHFFFAOYSA-N Synonym: 2-(4-Butylbenzylidene)-4′C-hydroxyacetophenone, 4-(4-Butylcinnamoyl)phenol PubChem CID: 44629782 IUPAC Name: 3-(4-butylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one SMILES: CCCCC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O

PubChem CID 44629782
CAS 385810-21-9
Molecular Weight (g/mol) 280.367
MDL Number MFCD08276309
SMILES CCCCC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O
Synonym 2-(4-Butylbenzylidene)-4′C-hydroxyacetophenone, 4-(4-Butylcinnamoyl)phenol
IUPAC Name 3-(4-butylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
InChI Key LFLVYHVGNKJGBV-UHFFFAOYSA-N
Molecular Formula C19H20O2
486

Daphnetin 90.0+%, TCI America™

CAS: 486-35-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00016977 InChI Key: ATEFPOUAMCWAQS-UHFFFAOYSA-N Synonym: 7,8-Dihydroxycoumarin PubChem CID: 5280569 ChEBI: CHEBI:17313 IUPAC Name: 7,8-dihydroxychromen-2-one SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)O)O

PubChem CID 5280569
CAS 486-35-1
Molecular Weight (g/mol) 178.143
ChEBI CHEBI:17313
MDL Number MFCD00016977
SMILES C1=CC(=C(C2=C1C=CC(=O)O2)O)O
Synonym 7,8-Dihydroxycoumarin
IUPAC Name 7,8-dihydroxychromen-2-one
InChI Key ATEFPOUAMCWAQS-UHFFFAOYSA-N
Molecular Formula C9H6O4
487

2-Nitrocinnamaldehyde 98.0+%, TCI America™

CAS: 1466-88-2 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD00007188 InChI Key: VMSMELHEXDVEDE-HWKANZROSA-N Synonym: 2-nitrocinnamaldehyde,3-2-nitrophenyl acrylaldehyde,o-nitrocinnamaldehyde,trans-2-nitrocinnamaldehyde,2e-3-2-nitrophenyl prop-2-enal,2-propenal, 3-2-nitrophenyl,e-3-2-nitrophenyl acrylaldehyde,e-3-2-nitrophenyl prop-2-enal,3-2-nitrophenyl prop-2-enal,ccris 3775 PubChem CID: 5367122 IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enal SMILES: C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-]

PubChem CID 5367122
CAS 1466-88-2
Molecular Weight (g/mol) 177.159
MDL Number MFCD00007188
SMILES C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-]
Synonym 2-nitrocinnamaldehyde,3-2-nitrophenyl acrylaldehyde,o-nitrocinnamaldehyde,trans-2-nitrocinnamaldehyde,2e-3-2-nitrophenyl prop-2-enal,2-propenal, 3-2-nitrophenyl,e-3-2-nitrophenyl acrylaldehyde,e-3-2-nitrophenyl prop-2-enal,3-2-nitrophenyl prop-2-enal,ccris 3775
IUPAC Name (E)-3-(2-nitrophenyl)prop-2-enal
InChI Key VMSMELHEXDVEDE-HWKANZROSA-N
Molecular Formula C9H7NO3
488

4-Bromocinnamic Acid 98.0+%, TCI America™

CAS: 1200-07-3 Molecular Formula: C9H7BrO2 Molecular Weight (g/mol): 227.06 MDL Number: MFCD00004394 InChI Key: CPDDDTNAMBSPRN-ZZXKWVIFSA-N Synonym: 4-bromocinnamic acid,p-bromocinnamic acid,3-4-bromophenyl acrylic acid,bromocinnamic acid,4,2e-3-4-bromophenyl prop-2-enoic acid,trans-4-bromocinnamic acid,e-3-4-bromophenyl acrylic acid,2-propenoic acid, 3-4-bromophenyl-, 2e,4-bromocinnamic acid, predominantly trans,rarechem bk hd c006 PubChem CID: 737158 IUPAC Name: (2E)-3-(4-bromophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=C(Br)C=C1

PubChem CID 737158
CAS 1200-07-3
Molecular Weight (g/mol) 227.06
MDL Number MFCD00004394
SMILES OC(=O)\C=C\C1=CC=C(Br)C=C1
Synonym 4-bromocinnamic acid,p-bromocinnamic acid,3-4-bromophenyl acrylic acid,bromocinnamic acid,4,2e-3-4-bromophenyl prop-2-enoic acid,trans-4-bromocinnamic acid,e-3-4-bromophenyl acrylic acid,2-propenoic acid, 3-4-bromophenyl-, 2e,4-bromocinnamic acid, predominantly trans,rarechem bk hd c006
IUPAC Name (2E)-3-(4-bromophenyl)prop-2-enoic acid
InChI Key CPDDDTNAMBSPRN-ZZXKWVIFSA-N
Molecular Formula C9H7BrO2
489

Loxoprofen Sodium Salt Dihydrate 98.0+%, TCI America™

CAS: 226721-96-6 Molecular Formula: C15H21NaO5 Molecular Weight (g/mol): 304.318 MDL Number: MFCD01745788 InChI Key: BAZQYVYVKYOAGO-UHFFFAOYSA-M Synonym: Sodium 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionate, 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid Sodium Salt PubChem CID: 23674745 ChEBI: CHEBI:31786 IUPAC Name: sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate;dihydrate SMILES: CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].O.O.[Na+]

PubChem CID 23674745
CAS 226721-96-6
Molecular Weight (g/mol) 304.318
ChEBI CHEBI:31786
MDL Number MFCD01745788
SMILES CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].O.O.[Na+]
Synonym Sodium 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionate, 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid Sodium Salt
IUPAC Name sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate;dihydrate
InChI Key BAZQYVYVKYOAGO-UHFFFAOYSA-M
Molecular Formula C15H21NaO5
490

7-Ethoxy-4-methylcoumarin 97.0+%, TCI America™

CAS: 87-05-8 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.23 MDL Number: MFCD00016971 InChI Key: NKRISXMDKXBVRJ-UHFFFAOYSA-N Synonym: 7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one PubChem CID: 66595 IUPAC Name: 7-ethoxy-4-methyl-2H-chromen-2-one SMILES: CCOC1=CC=C2C(C)=CC(=O)OC2=C1

PubChem CID 66595
CAS 87-05-8
Molecular Weight (g/mol) 204.23
MDL Number MFCD00016971
SMILES CCOC1=CC=C2C(C)=CC(=O)OC2=C1
Synonym 7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one
IUPAC Name 7-ethoxy-4-methyl-2H-chromen-2-one
InChI Key NKRISXMDKXBVRJ-UHFFFAOYSA-N
Molecular Formula C12H12O3
491

4,4'-Diaminostilbene-2,2'-disulfonic Acid 94.0+%, TCI America™

CAS: 81-11-8 Molecular Formula: C14H14N2O6S2 Molecular Weight (g/mol): 370.394 MDL Number: MFCD00024946 InChI Key: REJHVSOVQBJEBF-OWOJBTEDSA-N Synonym: amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid PubChem CID: 5284378 IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O

PubChem CID 5284378
CAS 81-11-8
Molecular Weight (g/mol) 370.394
MDL Number MFCD00024946
SMILES C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
Synonym amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid
IUPAC Name 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
InChI Key REJHVSOVQBJEBF-OWOJBTEDSA-N
Molecular Formula C14H14N2O6S2
492

3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one 98.0+%, TCI America™

CAS: 644-34-8 Molecular Formula: C16H12O3 Molecular Weight (g/mol): 252.269 MDL Number: MFCD00022990 InChI Key: ATKADZVINWFQOE-SOFGYWHQSA-N Synonym: 3,4-(Methylenedioxy)chalcone PubChem CID: 5354492 IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=CC=C3

PubChem CID 5354492
CAS 644-34-8
Molecular Weight (g/mol) 252.269
MDL Number MFCD00022990
SMILES C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=CC=C3
Synonym 3,4-(Methylenedioxy)chalcone
IUPAC Name (E)-3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one
InChI Key ATKADZVINWFQOE-SOFGYWHQSA-N
Molecular Formula C16H12O3
493

Ethyl Coumarin-3-carboxylate 98.0+%, TCI America™

CAS: 1846-76-0 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00016964 InChI Key: XKHPEMKBJGUYCM-UHFFFAOYSA-N Synonym: ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester PubChem CID: 15800 IUPAC Name: ethyl 2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2OC1=O

PubChem CID 15800
CAS 1846-76-0
Molecular Weight (g/mol) 218.208
MDL Number MFCD00016964
SMILES CCOC(=O)C1=CC2=CC=CC=C2OC1=O
Synonym ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester
IUPAC Name ethyl 2-oxochromene-3-carboxylate
InChI Key XKHPEMKBJGUYCM-UHFFFAOYSA-N
Molecular Formula C12H10O4
494

4-tert-Butylphenyl Salicylate 98.0+%, TCI America™

CAS: 87-18-3 Molecular Formula: C17H18O3 Molecular Weight (g/mol): 270.328 MDL Number: MFCD00045759 InChI Key: DBOSBRHMHBENLP-UHFFFAOYSA-N Synonym: Salicylic Acid 4-tert-Butylphenyl Ester PubChem CID: 66597 IUPAC Name: (4-tert-butylphenyl) 2-hydroxybenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

PubChem CID 66597
CAS 87-18-3
Molecular Weight (g/mol) 270.328
MDL Number MFCD00045759
SMILES CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym Salicylic Acid 4-tert-Butylphenyl Ester
IUPAC Name (4-tert-butylphenyl) 2-hydroxybenzoate
InChI Key DBOSBRHMHBENLP-UHFFFAOYSA-N
Molecular Formula C17H18O3
495

2'-Hydroxychalcone 98.0+%, TCI America™

CAS: 1214-47-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00016441 InChI Key: AETKQQBRKSELEL-ZHACJKMWSA-N Synonym: 2'-hydroxychalcone,o-hydroxychalcone,e-2'-hydroxychalcone,1-2-hydroxyphenyl-3-phenylprop-2-en-1-one,chalcone, 2'-hydroxy,ccris 7796,1-2-hydroxyphenyl-3-phenyl-2-propen-1-one,unii-vy06dz94oc,acrylophenone, 2'-hydroxy-3-phenyl,2-propen-1-one, 1-2-hydroxyphenyl-3-phenyl PubChem CID: 638276 ChEBI: CHEBI:27916 IUPAC Name: (E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2O

PubChem CID 638276
CAS 1214-47-7
Molecular Weight (g/mol) 224.259
ChEBI CHEBI:27916
MDL Number MFCD00016441
SMILES C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2O
Synonym 2'-hydroxychalcone,o-hydroxychalcone,e-2'-hydroxychalcone,1-2-hydroxyphenyl-3-phenylprop-2-en-1-one,chalcone, 2'-hydroxy,ccris 7796,1-2-hydroxyphenyl-3-phenyl-2-propen-1-one,unii-vy06dz94oc,acrylophenone, 2'-hydroxy-3-phenyl,2-propen-1-one, 1-2-hydroxyphenyl-3-phenyl
IUPAC Name (E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one
InChI Key AETKQQBRKSELEL-ZHACJKMWSA-N
Molecular Formula C15H12O2