6-methoxy-2-oxo-3-[(2-oxo-2H-chromen-7-yl)oxy]-2H-chromen-7-yl acetate

• ChemBase ID: 190423
• Molecular Formular: C21H14O8
• Molecular Mass: 394.33106
• Monoisotopic Mass: 394.06886741
• SMILES: c1(c(=O)oc2c(c1)cc(c(c2)OC(=O)C)OC)Oc1cc2oc(=O)ccc2cc1
• Canonical SMILES: COc1cc2cc(Oc3ccc4c(c3)oc(=O)cc4)c(=O)oc2cc1OC(=O)C
• InChI: InChI=1S/C21H14O8/c1-11(22)26-18-10-16-13(7-17(18)25-2)8-19(21(24)29-16)27-14-5-3-12-4-6-20(23)28-15(12)9-14/h3-10H,1-2H3
• InChIKey: JGZOXTSCOZGQNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-oxo-3-[(2-oxo-2H-chromen-7-yl)oxy]-2H-chromen-7-yl acetate
• IUPAC Traditional name: 6-methoxy-2-oxo-3-[(2-oxochromen-7-yl)oxy]chromen-7-yl acetate

Database IDs

• PubChem SID: 164246333
• PubChem CID: 1269245

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.6000912
• LogD (pH = 7.4): 2.6000912
• Log P: 2.6000912
• Molar Refractivity: 100.8621 cm^3
• Polarizability: 38.364178 Å^3
• Polar Surface Area: 97.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds