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Linear 1 3-diarylpropanoids

Organic compounds contain a central propyl group (3 carbon chain) with one phenyl group bonded to the first and the third carbons in the propyl chain; the propyl chain may contain other functional groups, such as a carbon - carbon double bond.

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1

Phloretin, 98%

CAS: 60-82-2 Molecular Formula: C15H14O5 Molecular Weight (g/mol): 274.27 MDL Number: MFCD00002288 InChI Key: VGEREEWJJVICBM-UHFFFAOYSA-N Synonym: phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone PubChem CID: 4788 ChEBI: CHEBI:17276 IUPAC Name: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O

PubChem CID 4788
CAS 60-82-2
Molecular Weight (g/mol) 274.27
ChEBI CHEBI:17276
MDL Number MFCD00002288
SMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
Synonym phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone
IUPAC Name 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
InChI Key VGEREEWJJVICBM-UHFFFAOYSA-N
Molecular Formula C15H14O5
2

Dibenzoylmethane, 98%

CAS: 120-46-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonym: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

PubChem CID 8433
CAS 120-46-7
Molecular Weight (g/mol) 224.26
ChEBI CHEBI:75417
MDL Number MFCD00003085
SMILES C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Synonym dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc
IUPAC Name 1,3-diphenylpropane-1,3-dione
InChI Key NZZIMKJIVMHWJC-UHFFFAOYSA-N
Molecular Formula C15H12O2
3

Chalcone, 97%

CAS: 94-41-7 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00003082 InChI Key: DQFBYFPFKXHELB-VAWYXSNFSA-N Synonym: chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone PubChem CID: 637760 ChEBI: CHEBI:48965 SMILES: O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 637760
CAS 94-41-7
Molecular Weight (g/mol) 208.26
ChEBI CHEBI:48965
MDL Number MFCD00003082
SMILES O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1
Synonym chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone
InChI Key DQFBYFPFKXHELB-VAWYXSNFSA-N
Molecular Formula C15H12O
4

Cardamonin, TRC

CAS: 19309-14-9 Molecular Formula: C16 H14 O4 Molecular Weight (g/mol): 270.28 Synonym: 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-,2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (E)-,Chalcone, 2',4'-dihydroxy-6'-methoxy- (8CI),(2E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one,Alpinetin chalcone,Cardamomin,Cardamonin IUPAC Name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one SMILES: COc1cc(O)cc(O)c1C(=O)\C=C\c2ccccc2

CAS 19309-14-9
Molecular Weight (g/mol) 270.28
SMILES COc1cc(O)cc(O)c1C(=O)\C=C\c2ccccc2
Synonym 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-,2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (E)-,Chalcone, 2',4'-dihydroxy-6'-methoxy- (8CI),(2E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one,Alpinetin chalcone,Cardamomin,Cardamonin
IUPAC Name (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
Molecular Formula C16 H14 O4
5

Phloretin, TRC

CAS: 60-82-2 Molecular Formula: C15 H14 O5 Molecular Weight (g/mol): 274.27 Synonym: 1-Propanone, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-,Phloretin (6CI),Propiophenone, 2',4',6'-trihydroxy-3-(p-hydroxyphenyl)- (8CI),2',4',6'-Trihydroxy-3-(4-Hydroxyphenyl)propiophenone,2',4',6'-Trihydroxy-3-(p-hydroxyphenyl)propiophenone,3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone,Dihydronaringenin,NSC 407292,Naringenin dihydrochalcone,Phloretol,RJC 02792,β-(p-Hydroxyphenyl)-2,4,6-trihydroxypropiophenone,β-(p-Hydroxyphenyl)phloropropiophenone IUPAC Name: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one SMILES: Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1

CAS 60-82-2
Molecular Weight (g/mol) 274.27
SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
Synonym 1-Propanone, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-,Phloretin (6CI),Propiophenone, 2',4',6'-trihydroxy-3-(p-hydroxyphenyl)- (8CI),2',4',6'-Trihydroxy-3-(4-Hydroxyphenyl)propiophenone,2',4',6'-Trihydroxy-3-(p-hydroxyphenyl)propiophenone,3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone,Dihydronaringenin,NSC 407292,Naringenin dihydrochalcone,Phloretol,RJC 02792,β-(p-Hydroxyphenyl)-2,4,6-trihydroxypropiophenone,β-(p-Hydroxyphenyl)phloropropiophenone
IUPAC Name 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Molecular Formula C15 H14 O5
6

Avobenzone, TRC

CAS: 70356-09-1 Molecular Formula: C20 H22 O3 Molecular Weight (g/mol): 310.39 Synonym: 1-[4-(1,1-Dimethylethyl)phenyl]-3-(4-methoxyphenyl)-1,3-propanedione,1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione,1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propan-1,3-dione,1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione,1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione,1-(4'-tert-Butylphenyl)-3-(4'-methoxyphenyl)propane-1,3-dione,4-(1,1-Dimethylethyl)-4'-methoxydibenzoylmethane,4-Methoxy-4'-tert-butyldibenzoylmethane,4-tert-Butyl-4'-methoxydibenzoylmethane,Avobenzone,Butylmethoxydibenzoylmethane,Escalol 517,Eusolex 9020,NeoHeliopan 357,Parsol 1789,Parsol A,Parsol RTM 1789,Photoplex,Solarom BMBM,Uvinul BMBM IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione SMILES: COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C

CAS 70356-09-1
Molecular Weight (g/mol) 310.39
SMILES COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C
Synonym 1-[4-(1,1-Dimethylethyl)phenyl]-3-(4-methoxyphenyl)-1,3-propanedione,1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione,1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propan-1,3-dione,1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione,1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione,1-(4'-tert-Butylphenyl)-3-(4'-methoxyphenyl)propane-1,3-dione,4-(1,1-Dimethylethyl)-4'-methoxydibenzoylmethane,4-Methoxy-4'-tert-butyldibenzoylmethane,4-tert-Butyl-4'-methoxydibenzoylmethane,Avobenzone,Butylmethoxydibenzoylmethane,Escalol 517,Eusolex 9020,NeoHeliopan 357,Parsol 1789,Parsol A,Parsol RTM 1789,Photoplex,Solarom BMBM,Uvinul BMBM
IUPAC Name 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Molecular Formula C20 H22 O3
7

Pongamol, TRC

CAS: 484-33-3 Molecular Formula: C18 H14 O4 Molecular Weight (g/mol): 294.3 Synonym: 1-(4-methoxy-5-benzofuranyl)-3-phenyl-1,3-propanedione,Lanceolatin C IUPAC Name: 1-(4-methoxybenzofuran-5-yl)-3-phenyl-propane-1,3-dione SMILES: COc1c(ccc2occc12)C(=O)CC(=O)c3ccccc3

CAS 484-33-3
Molecular Weight (g/mol) 294.3
SMILES COc1c(ccc2occc12)C(=O)CC(=O)c3ccccc3
Synonym 1-(4-methoxy-5-benzofuranyl)-3-phenyl-1,3-propanedione,Lanceolatin C
IUPAC Name 1-(4-methoxybenzofuran-5-yl)-3-phenyl-propane-1,3-dione
Molecular Formula C18 H14 O4
9

GFT-505, TRC

CAS: 923978-27-2 Molecular Formula: C22H24O4S Molecular Weight (g/mol): 384.49 Synonym: 2-[2,6-Dimethyl-4-[(1E)-3-[4-(methylthio)phenyl]-3-oxo-1-propen-1-yl]phenoxy]-2-methylpropanoic Acid,Elafibranor IUPAC Name: 2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid SMILES: CC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)SC)C)OC(C)(C)C(=O)O

CAS 923978-27-2
Molecular Weight (g/mol) 384.49
SMILES CC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)SC)C)OC(C)(C)C(=O)O
Synonym 2-[2,6-Dimethyl-4-[(1E)-3-[4-(methylthio)phenyl]-3-oxo-1-propen-1-yl]phenoxy]-2-methylpropanoic Acid,Elafibranor
IUPAC Name 2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid
Molecular Formula C22H24O4S
10

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
11

Dihydro Montelukast Sodium, TRC

CAS: 142147-98-6 Molecular Formula: C35 H38 Cl N O3 S . Na Molecular Weight (g/mol): 610.18 Synonym: Cyclopropaneacetic acid, 1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, monosodium salt, (R)-,Dihydro Montelukast Sodium Salt IUPAC Name: sodium;2-[1-[[(1R)-1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate SMILES: [Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)[O-])CC2)c3cccc(CCc4ccc5ccc(Cl)cc5n4)c3

CAS 142147-98-6
Molecular Weight (g/mol) 610.18
SMILES [Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)[O-])CC2)c3cccc(CCc4ccc5ccc(Cl)cc5n4)c3
Synonym Cyclopropaneacetic acid, 1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, monosodium salt, (R)-,Dihydro Montelukast Sodium Salt
IUPAC Name sodium;2-[1-[[(1R)-1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
Molecular Formula C35 H38 Cl N O3 S . Na