ethyl 4-oxo-3-(2,4,5-trimethoxyphenyl)-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase ID: 226757
• Molecular Formular: C23H22O8
• Molecular Mass: 426.41598
• Monoisotopic Mass: 426.13146766
• SMILES: c12c(OC(C2c2c(cc(c(c2)OC)OC)OC)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1cc(OC)c(cc1OC)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C23H22O8/c1-5-29-23(25)21-18(13-10-16(27-3)17(28-4)11-15(13)26-2)19-20(31-21)12-8-6-7-9-14(12)30-22(19)24/h6-11,18,21H,5H2,1-4H3
• InChIKey: PHPBWBHRFUNSPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-oxo-3-(2,4,5-trimethoxyphenyl)-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC Traditional name: ethyl 4-oxo-3-(2,4,5-trimethoxyphenyl)-2H,3H-furo[3,2-c]chromene-2-carboxylate

Database IDs

• PubChem SID: 164282667
• PubChem CID: 71753909

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.2830622
• LogD (pH = 7.4): 2.2830622
• Log P: 2.2830622
• Molar Refractivity: 110.1214 cm^3
• Polarizability: 42.837276 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds