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

• ChemBase ID: 227915
• Molecular Formular: C22H18O8
• Molecular Mass: 410.37352
• Monoisotopic Mass: 410.10016754
• SMILES: c12c(OC(C2c2ccc(OCC(=O)OC)cc2)C(=O)OC)c2c(oc1=O)cccc2
• Canonical SMILES: COC(=O)C1Oc2c(C1c1ccc(cc1)OCC(=O)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C22H18O8/c1-26-16(23)11-28-13-9-7-12(8-10-13)17-18-19(30-20(17)22(25)27-2)14-5-3-4-6-15(14)29-21(18)24/h3-10,17,20H,11H2,1-2H3
• InChIKey: WCRYLWTUQGBFTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283825
• PubChem CID: 71755034

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8654742
• LogD (pH = 7.4): 1.8654742
• Log P: 1.8654742
• Molar Refractivity: 103.3001 cm^3
• Polarizability: 40.42571 Å^3
• Polar Surface Area: 97.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds