CAS 49742-56-5|Methyl 4'-methyl-[1,1'-biphenyl]-4-carboxylate|4-(Methoxycarbonyl)-4'-methylbiphenyl|Methyl 4-(p-tolyl)benzoate|methyl 4-(4-methylphenyl)benzoate|4-[4-(Methoxycarbonyl)phenyl]toluene|...

General Information

Structure

Molecular Formula

C₁₅H₁₄O₂

Molecular Mass

226.27046

Exact Mass

226.09937969

Charge

InChI

InChI=1S/C15H14O2/c1-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17-2/h3-10H,1-2H3

InChIKey

NSUWJKRQGXBISO-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccc(cc1)c1ccc(cc1)C

Isomeric Smiles

O(C(=O)c1ccc(cc1)c1ccc(cc1)C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.1373696

LogD (pH = 7.4)

4.1373696

Log P

4.1373696

Molar Refractivity

68.2607

Polarizability

27.521633

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

methyl 4-(4-methylphenyl)benzoate

IUPAC Traditional name

methyl 4-(4-methylphenyl)benzoate

Synonyms

4-(Methoxycarbonyl)-4'-methylbiphenylMethyl 4'-methyl-[1,1'-biphenyl]-4-carboxylate4-[4-(Methoxycarbonyl)phenyl]tolueneMethyl 4-(p-tolyl)benzoate4'-甲基二苯基-4-羧酸甲酯4'-Methylbiphenyl-4-carboxylic acid methyl esterMethyl 4'-methylbiphenyl-4-carboxylate

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

EC Number

MDL Number