6-ethyl-7-methoxy-3-(4-methoxyphenyl)-2-methyl-4H-chromen-4-one

• ChemBase ID: 183384
• Molecular Formular: C20H20O4
• Molecular Mass: 324.3704
• Monoisotopic Mass: 324.13615912
• SMILES: c1(=O)c(c(oc2c1cc(c(c2)OC)CC)C)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c(C)oc2c(c1=O)cc(c(c2)OC)CC
• InChI: InChI=1S/C20H20O4/c1-5-13-10-16-18(11-17(13)23-4)24-12(2)19(20(16)21)14-6-8-15(22-3)9-7-14/h6-11H,5H2,1-4H3
• InChIKey: DNMNAKNVAWEJQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-7-methoxy-3-(4-methoxyphenyl)-2-methyl-4H-chromen-4-one
• IUPAC Traditional name: 6-ethyl-7-methoxy-3-(4-methoxyphenyl)-2-methylchromen-4-one

Database IDs

• PubChem SID: 164239294
• PubChem CID: 5212428

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1822886
• LogD (pH = 7.4): 4.1822886
• Log P: 4.1822886
• Molar Refractivity: 94.1279 cm^3
• Polarizability: 35.74651 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds