7-methoxy-3-(2-methoxyphenoxy)-4H-chromen-4-one

• ChemBase ID: 197539
• Molecular Formular: C17H14O5
• Molecular Mass: 298.29006
• Monoisotopic Mass: 298.08412355
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OC)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccc2c(c1)occ(c2=O)Oc1ccccc1OC
• InChI: InChI=1S/C17H14O5/c1-19-11-7-8-12-15(9-11)21-10-16(17(12)18)22-14-6-4-3-5-13(14)20-2/h3-10H,1-2H3
• InChIKey: RQOKCPNLJHPOQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164253449
• PubChem CID: 907543

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: 30.922047 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