ethyl 3-[4-(benzyloxy)-3-methoxyphenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase ID: 227273
• Molecular Formular: C28H24O7
• Molecular Mass: 472.48596
• Monoisotopic Mass: 472.15220311
• SMILES: c12c(OC(C2c2cc(c(OCc3ccccc3)cc2)OC)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(c(c1)OC)OCc1ccccc1)c(=O)oc1c2cccc1
• InChI: InChI=1S/C28H24O7/c1-3-32-28(30)26-23(24-25(35-26)19-11-7-8-12-20(19)34-27(24)29)18-13-14-21(22(15-18)31-2)33-16-17-9-5-4-6-10-17/h4-15,23,26H,3,16H2,1-2H3
• InChIKey: DVQOQZKBNPSNQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[4-(benzyloxy)-3-methoxyphenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC Traditional name: ethyl 3-[4-(benzyloxy)-3-methoxyphenyl]-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

Database IDs

• PubChem SID: 164283183
• PubChem CID: 71754403

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.165207
• LogD (pH = 7.4): 4.165207
• Log P: 4.165207
• Molar Refractivity: 128.2708 cm^3
• Polarizability: 49.853092 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds