ethyl 5-{[5-(methoxycarbonyl)-2-methylfuran-3-yl]methoxy}-2-methyl-1-benzofuran-3-carboxylate

• ChemBase ID: 187190
• Molecular Formular: C20H20O7
• Molecular Mass: 372.3686
• Monoisotopic Mass: 372.12090298
• SMILES: c1(c(oc2c1cc(OCc1cc(oc1C)C(=O)OC)cc2)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(C)oc2c1cc(OCc1cc(oc1C)C(=O)OC)cc2
• InChI: InChI=1S/C20H20O7/c1-5-24-20(22)18-12(3)27-16-7-6-14(9-15(16)18)25-10-13-8-17(19(21)23-4)26-11(13)2/h6-9H,5,10H2,1-4H3
• InChIKey: GRWSQAOXMPBGJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-{[5-(methoxycarbonyl)-2-methylfuran-3-yl]methoxy}-2-methyl-1-benzofuran-3-carboxylate
• IUPAC Traditional name: ethyl 5-{[5-(methoxycarbonyl)-2-methylfuran-3-yl]methoxy}-2-methyl-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164243100
• PubChem CID: 1322177

CALCULATED PROPERTIES

• LogD (pH = 5.5): 3.5223022
• LogD (pH = 7.4): 3.5223022
• Log P: 3.5223022
• Molar Refractivity: 97.4644 cm^3
• Polarizability: 37.94376 Å^3
• Polar Surface Area: 88.11 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds