4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-7-(naphthalen-2-ylmethoxy)-2H-chromen-2-one

• ChemBase ID: 208479
• Molecular Formular: C31H22O6
• Molecular Mass: 490.50278
• Monoisotopic Mass: 490.14163842
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)c(c(OCc1cc3c(cc1)cccc3)cc2)C
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2C)OCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C31H22O6/c1-18-26(35-17-19-10-11-20-6-3-4-7-21(20)14-19)13-12-23-24(16-28(32)36-29(18)23)25-15-22-8-5-9-27(34-2)30(22)37-31(25)33/h3-16H,17H2,1-2H3
• InChIKey: YIYFCCYOITUNLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-7-(naphthalen-2-ylmethoxy)-2H-chromen-2-one
• IUPAC Traditional name: 4-(8-methoxy-2-oxochromen-3-yl)-8-methyl-7-(naphthalen-2-ylmethoxy)chromen-2-one

Database IDs

• PubChem SID: 164264389
• PubChem CID: 1783979

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.82083
• LogD (pH = 7.4): 5.82083
• Log P: 5.82083
• Molar Refractivity: 139.7625 cm^3
• Polarizability: 54.56207 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds