propan-2-yl 2-({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

• ChemBase ID: 189981
• Molecular Formular: C20H20O6
• Molecular Mass: 356.3692
• Monoisotopic Mass: 356.12598836
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCC(=O)OC(C)C)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCC(=O)OC(C)C
• InChI: InChI=1S/C20H20O6/c1-11(2)25-18(21)10-24-17-8-7-15-14-6-5-13(23-4)9-16(14)20(22)26-19(15)12(17)3/h5-9,11H,10H2,1-4H3
• InChIKey: CCJOMLXIHMWOOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 2-({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate
• IUPAC Traditional name: isopropyl 2-({8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl}oxy)acetate

Database IDs

• PubChem SID: 164245891
• PubChem CID: 1325412

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5206666
• LogD (pH = 7.4): 3.5206666
• Log P: 3.5206666
• Molar Refractivity: 94.9278 cm^3
• Polarizability: 38.03749 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds