2-(2-methoxyphenyl)benzaldehyde

• ChemBase ID: 31161
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: c1(c2c(OC)cccc2)c(C=O)cccc1
• Canonical SMILES: COc1ccccc1c1ccccc1C=O
• InChI: InChI=1S/C14H12O2/c1-16-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-15/h2-10H,1H3
• InChIKey: ZYNNXRUYVVQLOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)benzaldehyde
• IUPAC Traditional name: 2-(2-methoxyphenyl)benzaldehyde
• Synonyms: 2'-Methoxy[1,1'-biphenyl]-2-carboxaldehyde; 2'-Methoxy-biphenyl-2-carbaldehyde

Database IDs

• MDL Number: MFCD03424639
• PubChem SID: 160994468
• PubChem CID: 602528

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1753023
• LogD (pH = 7.4): 3.1753023
• Log P: 3.1753023
• Molar Refractivity: 64.2414 cm^3
• Polarizability: 25.755438 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false