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

• ChemBase ID: 199275
• Molecular Formular: C18H16O5
• Molecular Mass: 312.31664
• Monoisotopic Mass: 312.09977361
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OCC)Oc1ccc(cc1)OC
• Canonical SMILES: CCOc1ccc2c(c1)occ(c2=O)Oc1ccc(cc1)OC
• InChI: InChI=1S/C18H16O5/c1-3-21-14-8-9-15-16(10-14)22-11-17(18(15)19)23-13-6-4-12(20-2)5-7-13/h4-11H,3H2,1-2H3
• InChIKey: FNZQQYMQJIQMSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164255185
• PubChem CID: 719937

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.2679741
• LogD (pH = 7.4): 3.2679741
• Log P: 3.2679741
• Molar Refractivity: 85.1904 cm^3
• Polarizability: 32.757 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