7-methoxy-4-{3-oxo-3H-benzo[f]chromen-2-yl}-2H-chromen-2-one

• ChemBase ID: 200800
• Molecular Formular: C23H14O5
• Molecular Mass: 370.35426
• Monoisotopic Mass: 370.08412355
• SMILES: c1(c2c(=O)oc3c(c2)c2c(cc3)cccc2)c2c(oc(=O)c1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2c1cc2c(oc1=O)ccc1c2cccc1
• InChI: InChI=1S/C23H14O5/c1-26-14-7-8-16-17(12-22(24)27-21(16)10-14)19-11-18-15-5-3-2-4-13(15)6-9-20(18)28-23(19)25/h2-12H,1H3
• InChIKey: LBQHSUXRGBXBMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-4-{3-oxo-3H-benzo[f]chromen-2-yl}-2H-chromen-2-one
• IUPAC Traditional name: 7-methoxy-4-{3-oxobenzo[f]chromen-2-yl}chromen-2-one

Database IDs

• PubChem SID: 164256710
• PubChem CID: 1805596

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7406065
• LogD (pH = 7.4): 3.7406065
• Log P: 3.7406065
• Molar Refractivity: 103.6455 cm^3
• Polarizability: 40.68149 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds