2-(4-methylphenyl)-1-phenylpentan-1-one

C18H20O — CID 134967757

IUPAC2-(4-methylphenyl)-1-phenylpentan-1-one
SMILESCCCC(C(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H20O/c1-3-7-17(15-12-10-14(2)11-13-15)18(19)16-8-5-4-6-9-16/h4-6,8-13,17H,3,7H2,1-2H3
InChIKeyUFUXIQQVTDCGLR-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.76
Rot. Bonds5

About 2-(4-methylphenyl)-1-phenylpentan-1-one

2-(4-methylphenyl)-1-phenylpentan-1-one (PubChem CID 134967757) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-phenylpentan-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-phenylpentan-1-one
PubChem CID134967757
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-(4-methylphenyl)-1-phenylpentan-1-one
SMILESCCCC(C(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H20O/c1-3-7-17(15-12-10-14(2)11-13-15)18(19)16-8-5-4-6-9-16/h4-6,8-13,17H,3,7H2,1-2H3
InChIKeyUFUXIQQVTDCGLR-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)pentanamide
CID 91135302
4,4,5,5,6,6,7,7,7-nonafluoro-2-(4-methylphenyl)-1-phenylheptan-1-one
CID 165389851
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
1,2-diphenylpentane-1,4-dione
CID 13184730
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
3-(4-methylphenyl)-1-phenylpentane-1,4-dione
CID 53348977
(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 95561132
1,4-diphenylheptane-1,2,3-trione
CID 140640221
1-(4-methylphenyl)-3-[4-[3-(4-methylphenyl)-3-oxo-2-phenylpropyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 71344000
2,3-dibromo-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 11974529
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811117

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-phenylpentan-1-one?
The IUPAC name of 2-(4-methylphenyl)-1-phenylpentan-1-one (CID 134967757) is 2-(4-methylphenyl)-1-phenylpentan-1-one.
What is the SMILES notation for 2-(4-methylphenyl)-1-phenylpentan-1-one?
The canonical SMILES for 2-(4-methylphenyl)-1-phenylpentan-1-one is CCCC(C(=O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-phenylpentan-1-one?
The InChIKey is UFUXIQQVTDCGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-7-17(15-12-10-14(2)11-13-15)18(19)16-8-5-4-6-9-16/h4-6,8-13,17H,3,7H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-phenylpentan-1-one?
2-(4-methylphenyl)-1-phenylpentan-1-one has a molecular weight of 252.36 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-phenylpentan-1-one is sourced from PubChem (CID 134967757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).