(5-methoxy-1-benzofuran-2-yl)(5-methoxy-2-methyl-1-benzofuran-3-yl)methanol

• ChemBase ID: 201168
• Molecular Formular: C20H18O5
• Molecular Mass: 338.35392
• Monoisotopic Mass: 338.11542368
• SMILES: c1(c(oc2c1cc(cc2)OC)C)C(c1oc2c(c1)cc(cc2)OC)O
• Canonical SMILES: COc1ccc2c(c1)cc(o2)C(c1c(C)oc2c1cc(OC)cc2)O
• InChI: InChI=1S/C20H18O5/c1-11-19(15-10-14(23-3)5-7-17(15)24-11)20(21)18-9-12-8-13(22-2)4-6-16(12)25-18/h4-10,20-21H,1-3H3
• InChIKey: HYMWUQDJKXBZTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methoxy-1-benzofuran-2-yl)(5-methoxy-2-methyl-1-benzofuran-3-yl)methanol
• IUPAC Traditional name: (5-methoxy-1-benzofuran-2-yl)(5-methoxy-2-methyl-1-benzofuran-3-yl)methanol

Database IDs

• PubChem SID: 164257078
• PubChem CID: 3137833

CALCULATED PROPERTIES

• Acid pKa: 12.483235
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.112603
• LogD (pH = 7.4): 3.1125994
• Log P: 3.112603
• Molar Refractivity: 92.7925 cm^3
• Polarizability: 37.92798 Å^3
• Polar Surface Area: 64.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds