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

• ChemBase ID: 188447
• Molecular Formular: C19H16O7
• Molecular Mass: 356.32614
• Monoisotopic Mass: 356.08960285
• SMILES: c1(c(c2c(oc1=O)cc(cc2)OC)OC(=O)C)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Oc1c(=O)oc2c(c1OC(=O)C)ccc(c2)OC
• InChI: InChI=1S/C19H16O7/c1-11(20)24-17-15-9-8-14(23-3)10-16(15)26-19(21)18(17)25-13-6-4-12(22-2)5-7-13/h4-10H,1-3H3
• InChIKey: UWKKHQNGFAPJLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244357
• PubChem CID: 1781086

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1823246
• LogD (pH = 7.4): 2.1823246
• Log P: 2.1823246
• Molar Refractivity: 91.7461 cm^3
• Polarizability: 35.492558 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Conformers
• Classification: Rare Derivatives of Natural Compounds