1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one

C16H16O2 — CID 3414619

IUPAC1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one
SMILESCc1ccc(C(O)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-12-7-9-14(10-8-12)16(18)15(17)11-13-5-3-2-4-6-13/h2-10,16,18H,11H2,1H3
InChIKeyDORJNUNAWQCYDN-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.84
Rot. Bonds4

About 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one

1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one (PubChem CID 3414619) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one
PubChem CID3414619
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one
SMILESCc1ccc(C(O)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-12-7-9-14(10-8-12)16(18)15(17)11-13-5-3-2-4-6-13/h2-10,16,18H,11H2,1H3
InChIKeyDORJNUNAWQCYDN-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-3-oxo-4-phenylbutanoic acid
CID 151330520
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
(3-oxo-4-phenylbutan-2-yl)carbamic acid
CID 67239937
N-ethyl-2-hydroxy-2-(4-methylphenyl)-N-phenylacetamide
CID 82134297
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
1-hydroxy-1-(4-methylphenyl)-4-phenylbut-3-yn-2-one
CID 10514818
N-[2-(diethylamino)-2-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 112504225
(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one
CID 135044338
1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
CID 103458024
(3S,6R)-1,3,6,8-tetraphenyloctane-2,4,5,7-tetrone
CID 124578428
3-ethyl-1-(4-methylphenyl)pentan-2-one
CID 61077540
1-hydroxy-1-(4-methylphenyl)-4-phenylbut-3-en-2-one
CID 4661079

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one?
The IUPAC name of 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one (CID 3414619) is 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one?
The canonical SMILES for 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one is Cc1ccc(C(O)C(=O)Cc2ccccc2)cc1.
What is the InChIKey of 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one?
The InChIKey is DORJNUNAWQCYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-7-9-14(10-8-12)16(18)15(17)11-13-5-3-2-4-6-13/h2-10,16,18H,11H2,1H3.
What are the key properties of 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one?
1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one has a molecular weight of 240.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one is sourced from PubChem (CID 3414619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).