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

• ChemBase ID: 186488
• Molecular Formular: C24H20O7
• Molecular Mass: 420.4114
• Monoisotopic Mass: 420.12090298
• SMILES: c1(c(oc2c1cc(OCc1oc(C(=O)OC)cc1)cc2)c1ccccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(oc2c1cc(OCc1ccc(o1)C(=O)OC)cc2)c1ccccc1
• InChI: InChI=1S/C24H20O7/c1-3-28-24(26)21-18-13-16(29-14-17-10-12-20(30-17)23(25)27-2)9-11-19(18)31-22(21)15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3
• InChIKey: YJHZSXPTTIHLAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242398
• PubChem CID: 988699

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6104074
• LogD (pH = 7.4): 4.6104074
• Log P: 4.6104074
• Molar Refractivity: 112.0562 cm^3
• Polarizability: 45.33051 Å^3
• Polar Surface Area: 88.11 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds