4-(benzyloxy)-3,5-dimethoxybenzaldehyde

• ChemBase ID: 250578
• Molecular Formular: C16H16O4
• Molecular Mass: 272.29584
• Monoisotopic Mass: 272.10485899
• SMILES: c1(c(cc(cc1OC)C=O)OC)OCc1ccccc1
• Canonical SMILES: COc1cc(C=O)cc(c1OCc1ccccc1)OC
• InChI: InChI=1S/C16H16O4/c1-18-14-8-13(10-17)9-15(19-2)16(14)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
• InChIKey: AGQUHZIDRBKPNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-3,5-dimethoxybenzaldehyde
• IUPAC Traditional name: 4-(benzyloxy)-3,5-dimethoxybenzaldehyde
• Synonyms: 4-(benzyloxy)-3,5-dimethoxybenzaldehyde

Database IDs

• CAS Number: 6527-32-8
• MDL Number: MFCD00088987
• PubChem SID: 164306488
• PubChem CID: 3014502

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9372075
• LogD (pH = 7.4): 2.9372075
• Log P: 2.9372075
• Molar Refractivity: 76.6442 cm^3
• Polarizability: 29.366985 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 2.818

Product Information

• Purity: 95%