[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone

C27H22O2 — CID 134547269

IUPAC[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone
SMILESCC(O)(c1ccccc1)c1cccc(-c2cccc(C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C27H22O2/c1-27(29,24-15-6-3-7-16-24)25-17-9-13-22(19-25)21-12-8-14-23(18-21)26(28)20-10-4-2-5-11-20/h2-19,29H,1H3
InChIKeyDNFDEQCCOCRUDR-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.84
Rot. Bonds5

About [3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone

[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone (PubChem CID 134547269) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is [3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone
PubChem CID134547269
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Name[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone
SMILESCC(O)(c1ccccc1)c1cccc(-c2cccc(C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C27H22O2/c1-27(29,24-15-6-3-7-16-24)25-17-9-13-22(19-25)21-12-8-14-23(18-21)26(28)20-10-4-2-5-11-20/h2-19,29H,1H3
InChIKeyDNFDEQCCOCRUDR-UHFFFAOYSA-N
XLogP5.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride
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phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
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[3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone
CID 129081682
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
[3-(3-ethenylphenyl)phenyl]-phenylmethanone
CID 89282549
2,2-dimethylpropane;diphenylmethanone
CID 159191976
[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
CID 66721962
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
3-methyl-3-(3-phenylphenyl)butanoic acid
CID 117389329
[3-(3-phenylbenzoyl)phenyl] acetate
CID 131863068
methyl 2-(3-benzoylphenyl)-2-methylpropanoate
CID 54260282

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone?
The IUPAC name of [3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone (CID 134547269) is [3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone is CC(O)(c1ccccc1)c1cccc(-c2cccc(C(=O)c3ccccc3)c2)c1.
What is the InChIKey of [3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone?
The InChIKey is DNFDEQCCOCRUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2/c1-27(29,24-15-6-3-7-16-24)25-17-9-13-22(19-25)21-12-8-14-23(18-21)26(28)20-10-4-2-5-11-20/h2-19,29H,1H3.
What are the key properties of [3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone?
[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone has a molecular weight of 378.47 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 134547269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).