4-(2-methoxyphenyl)benzaldehyde

• ChemBase ID: 30651
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: c1(c2ccc(C=O)cc2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1ccc(cc1)C=O
• InChI: InChI=1S/C14H12O2/c1-16-14-5-3-2-4-13(14)12-8-6-11(10-15)7-9-12/h2-10H,1H3
• InChIKey: CFGCKFDEJVKBCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenyl)benzaldehyde
• IUPAC Traditional name: 4-(2-methoxyphenyl)benzaldehyde
• Synonyms: 4-(2-Methoxyphenyl)benzaldehyde; 2-(4-Formylphenyl)anisole; 4-Formyl-2'-methoxybiphenyl; 2'-Methoxy-[1,1'-biphenyl]-4-carboxaldehyde; 4-(2-methoxyphenyl)benzaldehyde; 2'-Methoxy-biphenyl-4-carbaldehyde

Database IDs

• CAS Number: 421553-62-0
• MDL Number: MFCD01631913
• PubChem SID: 160993958
• PubChem CID: 2759543

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: 25.75215 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C; 54-55°C
• Hydrophobicity(logP): 2.815

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%