3-(2-methoxyphenoxy)-8-methyl-4-oxo-4H-chromen-7-yl acetate

• ChemBase ID: 191576
• Molecular Formular: C19H16O6
• Molecular Mass: 340.32674
• Monoisotopic Mass: 340.09468823
• SMILES: c1(c(=O)c2c(oc1)c(c(OC(=O)C)cc2)C)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1Oc1coc2c(c1=O)ccc(c2C)OC(=O)C
• InChI: InChI=1S/C19H16O6/c1-11-14(24-12(2)20)9-8-13-18(21)17(10-23-19(11)13)25-16-7-5-4-6-15(16)22-3/h4-10H,1-3H3
• InChIKey: WYQRXQOGARTTRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)-8-methyl-4-oxo-4H-chromen-7-yl acetate
• IUPAC Traditional name: 3-(2-methoxyphenoxy)-8-methyl-4-oxochromen-7-yl acetate

Database IDs

• PubChem SID: 164247486
• PubChem CID: 905861

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.18952
• LogD (pH = 7.4): 3.18952
• Log P: 3.18952
• Molar Refractivity: 90.1522 cm^3
• Polarizability: 34.616776 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds