(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one

C21H18O2 — CID 102595151

IUPAC(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
SMILESO=C(C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H18O2/c22-20(18-9-5-2-6-10-18)15-21(23)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,21,23H,15H2/t21-/m0/s1
InChIKeyFQCXAVJNUFDDAI-NRFANRHFSA-N
MW302.37 g/mol
LogP4.66
Rot. Bonds5

About (3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one

(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one (PubChem CID 102595151) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
PubChem CID102595151
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
SMILESO=C(C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H18O2/c22-20(18-9-5-2-6-10-18)15-21(23)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,21,23H,15H2/t21-/m0/s1
InChIKeyFQCXAVJNUFDDAI-NRFANRHFSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
(1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one
CID 10588977
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one
CID 132535803
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
2-bromo-1-(4-phenylphenyl)ethanol
CID 13479157
(1S)-2-bromo-1-(4-phenylphenyl)ethanol
CID 13479158
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
CID 23276830

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of (3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one (CID 102595151) is (3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for (3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for (3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one is O=C(C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one?
The InChIKey is FQCXAVJNUFDDAI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18O2/c22-20(18-9-5-2-6-10-18)15-21(23)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,21,23H,15H2/t21-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one?
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one has a molecular weight of 302.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 102595151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).