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

• ChemBase ID: 189507
• Molecular Formular: C17H14O5
• Molecular Mass: 298.29006
• Monoisotopic Mass: 298.08412355
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OC)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC
• InChI: InChI=1S/C17H14O5/c1-19-11-3-5-12(6-4-11)22-16-10-21-15-9-13(20-2)7-8-14(15)17(16)18/h3-10H,1-2H3
• InChIKey: AJJASAFUMJTILT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245417
• PubChem CID: 719936

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9111662
• LogD (pH = 7.4): 2.9111662
• Log P: 2.9111662
• Molar Refractivity: 80.4418 cm^3
• Polarizability: 30.919594 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds