methyl 3-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase ID: 226933
• Molecular Formular: C23H20O9
• Molecular Mass: 440.3995
• Monoisotopic Mass: 440.11073222
• SMILES: c12c(OC(C2c2cc(OCC(=O)OC)c(cc2)OC)C(=O)OC)c2c(oc1=O)cccc2
• Canonical SMILES: COC(=O)COc1cc(ccc1OC)C1C(Oc2c1c(=O)oc1c2cccc1)C(=O)OC
• InChI: InChI=1S/C23H20O9/c1-27-15-9-8-12(10-16(15)30-11-17(24)28-2)18-19-20(32-21(18)23(26)29-3)13-6-4-5-7-14(13)31-22(19)25/h4-10,18,21H,11H2,1-3H3
• InChIKey: JEBTWFNKPFFSSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC Traditional name: methyl 3-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

Database IDs

• PubChem SID: 164282843
• PubChem CID: 71754078

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.707803
• LogD (pH = 7.4): 1.707803
• Log P: 1.707803
• Molar Refractivity: 109.7633 cm^3
• Polarizability: 42.974293 Å^3
• Polar Surface Area: 106.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds