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

• ChemBase ID: 186781
• Molecular Formular: C19H18O7
• Molecular Mass: 358.34202
• Monoisotopic Mass: 358.10525292
• SMILES: c1(c(oc2c1cc(OCc1cc(oc1C)C(=O)OC)cc2)C)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(c(o1)C)COc1ccc2c(c1)c(C(=O)OC)c(o2)C
• InChI: InChI=1S/C19H18O7/c1-10-12(7-16(25-10)18(20)22-3)9-24-13-5-6-15-14(8-13)17(11(2)26-15)19(21)23-4/h5-8H,9H2,1-4H3
• InChIKey: RKEHNDHIIBVEJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242691
• PubChem CID: 988715

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1654942
• LogD (pH = 7.4): 3.1654942
• Log P: 3.1654942
• Molar Refractivity: 92.7158 cm^3
• Polarizability: 36.11042 Å^3
• Polar Surface Area: 88.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds