6-ethyl-7-[(4-methoxyphenyl)methoxy]-4-methyl-2H-chromen-2-one

• ChemBase ID: 195082
• Molecular Formular: C20H20O4
• Molecular Mass: 324.3704
• Monoisotopic Mass: 324.13615912
• SMILES: c12c(c(cc(=O)o1)C)cc(c(c2)OCc1ccc(cc1)OC)CC
• Canonical SMILES: CCc1cc2c(C)cc(=O)oc2cc1OCc1ccc(cc1)OC
• InChI: InChI=1S/C20H20O4/c1-4-15-10-17-13(2)9-20(21)24-19(17)11-18(15)23-12-14-5-7-16(22-3)8-6-14/h5-11H,4,12H2,1-3H3
• InChIKey: GQGMJDFUFGOADJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-7-[(4-methoxyphenyl)methoxy]-4-methyl-2H-chromen-2-one
• IUPAC Traditional name: 6-ethyl-7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one

Database IDs

• PubChem SID: 164250992
• PubChem CID: 907068

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.449875
• LogD (pH = 7.4): 4.449875
• Log P: 4.449875
• Molar Refractivity: 93.0118 cm^3
• Polarizability: 35.766712 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds