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

• ChemBase ID: 187401
• Molecular Formular: C20H20O8
• Molecular Mass: 388.368
• Monoisotopic Mass: 388.1158176
• SMILES: c1(c(oc2c1cc(OCc1oc(C(=O)OC)cc1)cc2)C)C(=O)OCCOC
• Canonical SMILES: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccc(o1)C(=O)OC)cc2
• InChI: InChI=1S/C20H20O8/c1-12-18(20(22)25-9-8-23-2)15-10-13(4-6-16(15)27-12)26-11-14-5-7-17(28-14)19(21)24-3/h4-7,10H,8-9,11H2,1-3H3
• InChIKey: OINHLHJYJFOLMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243311
• PubChem CID: 1764615

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8389585
• LogD (pH = 7.4): 2.8389585
• Log P: 2.8389585
• Molar Refractivity: 98.4871 cm^3
• Polarizability: 38.743263 Å^3
• Polar Surface Area: 97.34 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds