1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone

C15H14O2 — CID 58616042

IUPAC1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C15H14O2/c1-11(16)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-10,15,17H,1H3
InChIKeyLZTBKLHHUGVSKR-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.97
Rot. Bonds3

About 1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone

1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone (PubChem CID 58616042) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
PubChem CID58616042
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C15H14O2/c1-11(16)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-10,15,17H,1H3
InChIKeyLZTBKLHHUGVSKR-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
1-[3-(1-hydroxy-3-phenylprop-2-ynyl)phenyl]ethanone
CID 57326352
diphenylmethanol;diphenylmethanone
CID 67159414
2-[3-[(S)-hydroxy(phenyl)methyl]phenyl]propanoic acid
CID 67709050
[3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone
CID 101432488
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone
CID 75598820
(2R)-2-(3-acetylphenyl)propanenitrile
CID 124562052
1-(3-acetylphenyl)ethyl acetate
CID 155934907
3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde
CID 101432485
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357

Frequently Asked Questions

What is the IUPAC name of 1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone (CID 58616042) is 1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone is CC(=O)c1cccc(C(O)c2ccccc2)c1.
What is the InChIKey of 1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone?
The InChIKey is LZTBKLHHUGVSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11(16)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-10,15,17H,1H3.
What are the key properties of 1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone?
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone has a molecular weight of 226.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone is sourced from PubChem (CID 58616042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).