ethyl 3-[5-(methoxycarbonyl)furan-2-yl]-7-{[5-(methoxycarbonyl)furan-2-yl]methoxy}-4-oxo-4H-chromene-2-carboxylate

• ChemBase ID: 185011
• Molecular Formular: C25H20O11
• Molecular Mass: 496.4197
• Monoisotopic Mass: 496.10056146
• SMILES: c1(c(oc2c(c1=O)ccc(c2)OCc1oc(C(=O)OC)cc1)C(=O)OCC)c1oc(cc1)C(=O)OC
• Canonical SMILES: CCOC(=O)c1oc2cc(OCc3ccc(o3)C(=O)OC)ccc2c(=O)c1c1ccc(o1)C(=O)OC
• InChI: InChI=1S/C25H20O11/c1-4-32-25(29)22-20(16-9-10-18(35-16)24(28)31-3)21(26)15-7-5-13(11-19(15)36-22)33-12-14-6-8-17(34-14)23(27)30-2/h5-11H,4,12H2,1-3H3
• InChIKey: RYJXEZYFJKUGNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[5-(methoxycarbonyl)furan-2-yl]-7-{[5-(methoxycarbonyl)furan-2-yl]methoxy}-4-oxo-4H-chromene-2-carboxylate
• IUPAC Traditional name: ethyl 3-[5-(methoxycarbonyl)furan-2-yl]-7-{[5-(methoxycarbonyl)furan-2-yl]methoxy}-4-oxochromene-2-carboxylate

Database IDs

• PubChem SID: 164240921
• PubChem CID: 984059

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.2354815
• LogD (pH = 7.4): 3.2354815
• Log P: 3.2354815
• Molar Refractivity: 122.2264 cm^3
• Polarizability: 46.48611 Å^3
• Polar Surface Area: 140.71 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds