7-ethoxy-3-(4-methoxyphenoxy)-2-methyl-4H-chromen-4-one

• ChemBase ID: 200867
• Molecular Formular: C19H18O5
• Molecular Mass: 326.34322
• Monoisotopic Mass: 326.11542368
• SMILES: c1(c(=O)c2c(oc1C)cc(cc2)OCC)Oc1ccc(cc1)OC
• Canonical SMILES: CCOc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)OC)C
• InChI: InChI=1S/C19H18O5/c1-4-22-15-9-10-16-17(11-15)23-12(2)19(18(16)20)24-14-7-5-13(21-3)6-8-14/h5-11H,4H2,1-3H3
• InChIKey: JONASZRDMCTJAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethoxy-3-(4-methoxyphenoxy)-2-methyl-4H-chromen-4-one
• IUPAC Traditional name: 7-ethoxy-3-(4-methoxyphenoxy)-2-methylchromen-4-one

Database IDs

• PubChem SID: 164256777
• PubChem CID: 908652

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4700468
• LogD (pH = 7.4): 3.4700468
• Log P: 3.4700468
• Molar Refractivity: 91.0095 cm^3
• Polarizability: 34.59518 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds