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

• ChemBase ID: 197720
• Molecular Formular: C17H14O5
• Molecular Mass: 298.29006
• Monoisotopic Mass: 298.08412355
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OC)Oc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2)OC
• InChI: InChI=1S/C17H14O5/c1-19-11-4-3-5-13(8-11)22-16-10-21-15-9-12(20-2)6-7-14(15)17(16)18/h3-10H,1-2H3
• InChIKey: OJDGTKVHGHGCQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164253630
• PubChem CID: 890299

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: 30.92046 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