2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one

C23H22O4 — CID 12559074

IUPAC2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C(O)(Cc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22O4/c1-26-20-12-8-18(9-13-20)22(24)23(25,16-17-6-4-3-5-7-17)19-10-14-21(27-2)15-11-19/h3-15,25H,16H2,1-2H3
InChIKeyAWOCVQDFGADXTA-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.02
Rot. Bonds7

About 2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one

2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 12559074) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID12559074
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C(O)(Cc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22O4/c1-26-20-12-8-18(9-13-20)22(24)23(25,16-17-6-4-3-5-7-17)19-10-14-21(27-2)15-11-19/h3-15,25H,16H2,1-2H3
InChIKeyAWOCVQDFGADXTA-UHFFFAOYSA-N
XLogP4.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butoxybutane;2-hydroxy-1,2,3-triphenylpropan-1-one
CID 70616091
bis[2-benzyl-1-(4-methoxyphenyl)-1-oxobutan-2-yl]-methylazanium
CID 173338561
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
2-chloro-2-(4-methoxyphenyl)-3-oxo-3-phenylpropanoic acid
CID 175409188
(2S,3S)-2,3-dihydroxy-2,3-bis(4-methoxybenzoyl)butanedioic acid
CID 66875563
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
CID 67712155
2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
CID 100782798
2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone
CID 139805914
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of 2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one (CID 12559074) is 2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one is COc1ccc(C(=O)C(O)(Cc2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is AWOCVQDFGADXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-26-20-12-8-18(9-13-20)22(24)23(25,16-17-6-4-3-5-7-17)19-10-14-21(27-2)15-11-19/h3-15,25H,16H2,1-2H3.
What are the key properties of 2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one?
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 362.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 12559074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).