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

• ChemBase ID: 186809
• Molecular Formular: C19H18O7
• Molecular Mass: 358.34202
• Monoisotopic Mass: 358.10525292
• SMILES: c1(c(oc2c1cc(OCc1oc(C(=O)OC)cc1)cc2)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(C)oc2c1cc(OCc1ccc(o1)C(=O)OC)cc2
• InChI: InChI=1S/C19H18O7/c1-4-23-19(21)17-11(2)25-15-7-5-12(9-14(15)17)24-10-13-6-8-16(26-13)18(20)22-3/h5-9H,4,10H2,1-3H3
• InChIKey: LJPJIZSQSZUDAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242719
• PubChem CID: 988698

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.242742
• LogD (pH = 7.4): 3.242742
• Log P: 3.242742
• Molar Refractivity: 92.1922 cm^3
• Polarizability: 36.18446 Å^3
• Polar Surface Area: 88.11 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds