CAS 85-55-2|CAS 7148-03-0|2-(4-methylbenzoyl)benzoic acid|2-(4-methylbenzoyl)benzoic acid|2-(4-Methylbenzoyl)benzoic acid|2-(4-Methylbenzoyl)benzenecarboxylic acid|2-(对甲苯酰基)苯甲酸|2-(p-Toluoyl)...

General Information

Structure

Molecular Formula

C₁₅H₁₂O₃

Molecular Mass

240.25398

Exact Mass

240.07864424

Charge

InChI

InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)

InChIKey

ICQOWIXIHDDXDI-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)C(=O)c1ccccc1C(=O)O

Isomeric Smiles

c1(C(=O)c2ccc(cc2)C)c(C(=O)O)cccc1

Calculated Properties

JChem

Acid pKa

3.4855862

H Acceptors

H Donor

LogD (pH = 5.5)

1.5980755

LogD (pH = 7.4)

0.22396307

Log P

3.6036031

Molar Refractivity

68.9309

Polarizability

26.06299

Polar Surface Area

54.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-(4-methylbenzoyl)benzoic acid

IUPAC name

2-(4-methylbenzoyl)benzoic acid

Synonyms

2-(4-Methylbenzoyl)benzoic acid2-(4-Methylbenzoyl)benzenecarboxylic acid2-(对甲苯酰基)苯甲酸2-(p-Toluoyl)benzoic acid2-(p-Toluoyl)benzoic Acid2-[(4-methylphenyl)carbonyl]benzoic acid2-(4-甲苯酰)苯甲酸2-(4-Toluoyl)benzoic acid2-(4-Methylbenzoyl)benzoic acid4'-Methylbenzophenone-2-carboxylic acid

Names and Identifiers

Registration numbers

EC Number

MDL Number

CAS Number

Merck Index

Beilstein Number