2-methoxy-5-phenylbenzaldehyde

• ChemBase ID: 30860
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: c1(cc(ccc1OC)c1ccccc1)C=O
• Canonical SMILES: O=Cc1cc(ccc1OC)c1ccccc1
• InChI: InChI=1S/C14H12O2/c1-16-14-8-7-12(9-13(14)10-15)11-5-3-2-4-6-11/h2-10H,1H3
• InChIKey: JHLXZTBOJVCIBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-phenylbenzaldehyde
• IUPAC Traditional name: 2-methoxy-5-phenylbenzaldehyde
• Synonyms: 2-methoxy-5-phenylbenzaldehyde; 4-Methoxy-biphenyl-3-carbaldehyde

Database IDs

• MDL Number: MFCD04039099
• PubChem SID: 160994167
• PubChem CID: 3159665

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: 25.748009 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.667

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%