CAS 2001-28-7|1-(4-methylphenyl)-2-phenylethan-1-one|4'-Methyl-2-phenylacetophenone|1-(4-methylphenyl)-2-phenylethanone|1-(4-Methylphenyl)-2-phenylethan-1-one|Benzyl 4-methylphenyl ketone|1-(4-Methy...

General Information

Structure

Molecular Formula

C₁₅H₁₄O

Molecular Mass

210.27106

Exact Mass

210.10446507

Charge

InChI

InChI=1S/C15H14O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChIKey

RDBAEHHVVNBKBB-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)C(=O)Cc1ccccc1

Isomeric Smiles

O=C(c1ccc(cc1)C)Cc1ccccc1

Calculated Properties

JChem

Acid pKa

16.242144

H Acceptors

H Donor

LogD (pH = 5.5)

3.8786545

LogD (pH = 7.4)

3.8786545

Log P

3.8786545

Molar Refractivity

66.2239

Polarizability

25.473072

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

4'-Methyl-2-phenylacetophenone1-(4-Methylphenyl)-2-phenylethan-1-oneBenzyl 4-methylphenyl ketone4’-Methyl-2-phenylacetophenone1-(4-Methylphenyl)-2-phenylethanone4-Methyldeoxybenzoin2-Phenyl-1-(4-tolyl)ethanoneNSC 205724-Methyl-α-phenylacetophenoneBenzyl p-Toluylketone

IUPAC Traditional name

1-(4-methylphenyl)-2-phenylethanone

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID