2-(2-formylphenyl)benzaldehyde

• ChemBase ID: 87547
• Molecular Formular: C14H10O2
• Molecular Mass: 210.228
• Monoisotopic Mass: 210.06807956
• SMILES: O=Cc1ccccc1c1c(cccc1)C=O
• Canonical SMILES: O=Cc1ccccc1c1ccccc1C=O
• InChI: InChI=1S/C14H10O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-10H
• InChIKey: HJFGULDHUDIPDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-formylphenyl)benzaldehyde
• IUPAC Traditional name: diphenaldehyde
• Synonyms: Biphenyl-2,2'-dicarboxaldehyde

Database IDs

• CAS Number: 1210-05-5
• MDL Number: MFCD00142732
• PubChem SID: 162074587
• PubChem CID: 14585

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.045476
• LogD (pH = 7.4): 3.045476
• Log P: 3.045476
• Molar Refractivity: 64.3622 cm^3
• Polarizability: 25.122902 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true