CAS 116470-54-3|3-(4-methylphenyl)benzaldehyde|4'-Methyl [1,1'-biphenyl]-3-carboxaldehyde|3-(4-methylphenyl)benzaldehyde|4′-Methyl-3-formylbiphenyl|4′-Methyl[1,1′-biphenyl]-3-carboxaldehyde|4′-甲...

General Information

Structure

Molecular Formula

C₁₄H₁₂O

Molecular Mass

196.24448

Exact Mass

196.088815

Charge

InChI

InChI=1S/C14H12O/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15/h2-10H,1H3

InChIKey

VEEXIHQTCQUWED-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cccc(c1)c1ccc(cc1)C

Isomeric Smiles

O=Cc1cc(ccc1)c1ccc(cc1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.846395

LogD (pH = 7.4)

3.846395

Log P

3.846395

Molar Refractivity

62.8194

Polarizability

25.061007

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 Traditional name

3-(4-methylphenyl)benzaldehyde

Synonyms

4'-Methyl [1,1'-biphenyl]-3-carboxaldehyde4′-Methyl-3-formylbiphenyl4′-Methyl[1,1′-biphenyl]-3-carboxaldehyde4′-甲基[1,1′-联苯]-3-甲醛3-(4-Methylphenyl)benzaldehyde4′-甲基-3-甲酰基联苯3-(4-甲基苯基)苯甲醛3-(4-methylphenyl)benzaldehyde

IUPAC name

3-(4-methylphenyl)benzaldehyde

Names and Identifiers

Registration numbers

MDL Number

PubChem SID

PubChem CID

CAS Number