5-methoxy-3-(5-methoxy-1-benzofuran-2-carbonyl)-2-methyl-1-benzofuran

• ChemBase ID: 180635
• Molecular Formular: C20H16O5
• Molecular Mass: 336.33804
• Monoisotopic Mass: 336.09977361
• SMILES: c1(c(oc2c1cc(cc2)OC)C)C(=O)c1oc2c(c1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)cc(o2)C(=O)c1c(C)oc2c1cc(OC)cc2
• InChI: InChI=1S/C20H16O5/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/h4-10H,1-3H3
• InChIKey: KUYVBSWFAOHPPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164236545
• PubChem CID: 927442

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5550656
• LogD (pH = 7.4): 3.5550656
• Log P: 3.5550656
• Molar Refractivity: 92.2693 cm^3
• Polarizability: 37.54934 Å^3
• Polar Surface Area: 61.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds