4-ethyl-5-[(4-methoxyphenyl)methoxy]-7-methyl-2H-chromen-2-one

• ChemBase ID: 195111
• Molecular Formular: C20H20O4
• Molecular Mass: 324.3704
• Monoisotopic Mass: 324.13615912
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OCc1ccc(cc1)OC)C)CC
• Canonical SMILES: CCc1cc(=O)oc2c1c(OCc1ccc(cc1)OC)cc(c2)C
• InChI: InChI=1S/C20H20O4/c1-4-15-11-19(21)24-18-10-13(2)9-17(20(15)18)23-12-14-5-7-16(22-3)8-6-14/h5-11H,4,12H2,1-3H3
• InChIKey: ZWXFVXNGHOUJDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-5-[(4-methoxyphenyl)methoxy]-7-methyl-2H-chromen-2-one
• IUPAC Traditional name: 4-ethyl-5-[(4-methoxyphenyl)methoxy]-7-methylchromen-2-one

Database IDs

• PubChem SID: 164251021
• PubChem CID: 907077

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: 35.768967 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