methyl 2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate

• ChemBase ID: 119751
• Molecular Formular: C14H14O5
• Molecular Mass: 262.25796
• Monoisotopic Mass: 262.08412355
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)OC
• Canonical SMILES: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC
• InChI: InChI=1S/C14H14O5/c1-8-10-5-4-9(17-2)6-12(10)19-14(16)11(8)7-13(15)18-3/h4-6H,7H2,1-3H3
• InChIKey: ZUUIBZZZBRDMBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162107893
• PubChem CID: 907379

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5908544
• LogD (pH = 7.4): 1.5908544
• Log P: 1.5908544
• Molar Refractivity: 67.6864 cm^3
• Polarizability: 26.384485 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds