4,5-dimethoxy-2-phenylbenzaldehyde

• ChemBase ID: 257618
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c1(cc(c(cc1C=O)OC)OC)c1ccccc1
• Canonical SMILES: O=Cc1cc(OC)c(cc1c1ccccc1)OC
• InChI: InChI=1S/C15H14O3/c1-17-14-8-12(10-16)13(9-15(14)18-2)11-6-4-3-5-7-11/h3-10H,1-2H3
• InChIKey: YFZXKIZPCXCRBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethoxy-2-phenylbenzaldehyde
• IUPAC Traditional name: 4,5-dimethoxy-2-phenylbenzaldehyde
• Synonyms: 4,5-dimethoxy-1,1'-biphenyl-2-carbaldehyde

Database IDs

• MDL Number: MFCD09042315
• PubChem SID: 164313528
• PubChem CID: 10331964

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.017631
• LogD (pH = 7.4): 3.017631
• Log P: 3.017631
• Molar Refractivity: 70.7046 cm^3
• Polarizability: 28.229818 Å^3
• Polar Surface Area: 35.53 Å^2

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 3.182

Product Information

• Purity: 95%