ethyl 7-(furan-2-carbonyloxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate

• ChemBase ID: 191523
• Molecular Formular: C24H18O8
• Molecular Mass: 434.39492
• Monoisotopic Mass: 434.10016754
• SMILES: c1(c(c(=O)c2c(o1)cc(OC(=O)c1occc1)cc2)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc(cc1)OC)OC(=O)c1ccco1
• InChI: InChI=1S/C24H18O8/c1-3-29-24(27)22-20(14-6-8-15(28-2)9-7-14)21(25)17-11-10-16(13-19(17)32-22)31-23(26)18-5-4-12-30-18/h4-13H,3H2,1-2H3
• InChIKey: NYXQQMICCSDLBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-(furan-2-carbonyloxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
• IUPAC Traditional name: ethyl 7-(furan-2-carbonyloxy)-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate

Database IDs

• PubChem SID: 164247433
• PubChem CID: 1332878

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.265241
• LogD (pH = 7.4): 4.265241
• Log P: 4.265241
• Molar Refractivity: 113.2202 cm^3
• Polarizability: 43.162422 Å^3
• Polar Surface Area: 101.27 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds