methyl 2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate

• ChemBase ID: 119758
• Molecular Formular: C15H16O6
• Molecular Mass: 292.28394
• Monoisotopic Mass: 292.09468823
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)OC)C
• Canonical SMILES: COC(=O)Cc1c(=O)oc2c(c1C)c(OC)cc(c2)OC
• InChI: InChI=1S/C15H16O6/c1-8-10(7-13(16)20-4)15(17)21-12-6-9(18-2)5-11(19-3)14(8)12/h5-6H,7H2,1-4H3
• InChIKey: CXLBRXPAGBZMJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
• IUPAC Traditional name: methyl 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetate
• Synonyms: methyl 2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate

Database IDs

• PubChem SID: 162107898
• PubChem CID: 16394690

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4331832
• LogD (pH = 7.4): 1.4331832
• Log P: 1.4331832
• Molar Refractivity: 74.1496 cm^3
• Polarizability: 28.93169 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds