5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-carbaldehyde

• ChemBase ID: 310494
• Molecular Formular: C17H14O3
• Molecular Mass: 266.29126
• Monoisotopic Mass: 266.09429431
• SMILES: c12c(c(oc1cc(c(c2)OC)C=O)C)c1ccccc1
• Canonical SMILES: COc1cc2c(cc1C=O)oc(c2c1ccccc1)C
• InChI: InChI=1S/C17H14O3/c1-11-17(12-6-4-3-5-7-12)14-9-15(19-2)13(10-18)8-16(14)20-11/h3-10H,1-2H3
• InChIKey: QDELYQWIZDKRMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-carbaldehyde
• IUPAC Traditional name: 5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-carbaldehyde
• Synonyms: 5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-carbaldehyde

Database IDs

• CAS Number: 374912-51-3
• MDL Number: MFCD01546637

CALCULATED PROPERTIES

• Log P: 3.533987
• Molar Refractivity: 78.2322 cm^3
• Polarizability: 31.900337 Å^3
• Polar Surface Area: 39.44 Å^2
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.533987
• LogD (pH = 7.4): 3.533987