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

• ChemBase ID: 226949
• Molecular Formular: C21H18O6
• Molecular Mass: 366.36402
• Monoisotopic Mass: 366.1103383
• SMILES: c12c(OC(C2c2ccc(cc2)OC)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(cc1)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C21H18O6/c1-3-25-21(23)19-16(12-8-10-13(24-2)11-9-12)17-18(27-19)14-6-4-5-7-15(14)26-20(17)22/h4-11,16,19H,3H2,1-2H3
• InChIKey: LFAKAWGSWHXZEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282859
• PubChem CID: 71754093

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.598405
• LogD (pH = 7.4): 2.598405
• Log P: 2.598405
• Molar Refractivity: 97.195 cm^3
• Polarizability: 37.75786 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds