(5-methoxy-1-benzofuran-3-yl)(4-methoxyphenyl)methanol

• ChemBase ID: 198794
• Molecular Formular: C17H16O4
• Molecular Mass: 284.30654
• Monoisotopic Mass: 284.10485899
• SMILES: c1(c2c(oc1)ccc(c2)OC)C(c1ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)C(c1coc2c1cc(OC)cc2)O
• InChI: InChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)17(18)15-10-21-16-8-7-13(20-2)9-14(15)16/h3-10,17-18H,1-2H3
• InChIKey: WVKKPNQRAKDHIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methoxy-1-benzofuran-3-yl)(4-methoxyphenyl)methanol
• IUPAC Traditional name: (5-methoxy-1-benzofuran-3-yl)(4-methoxyphenyl)methanol

Database IDs

• PubChem SID: 164254704
• PubChem CID: 3487937

CALCULATED PROPERTIES

• Acid pKa: 13.520554
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8339171
• LogD (pH = 7.4): 2.8339167
• Log P: 2.8339171
• Molar Refractivity: 78.9242 cm^3
• Polarizability: 31.7844 Å^3
• Polar Surface Area: 51.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds