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

• ChemBase ID: 210986
• Molecular Formular: C30H20O6
• Molecular Mass: 476.4762
• Monoisotopic Mass: 476.12598836
• SMILES: c1(c2c(=O)oc3c(c2)ccc(c3)OCc2cc3c(cc2)cccc3)c2c(oc(=O)c1)c(OC)ccc2
• Canonical SMILES: COc1cccc2c1oc(=O)cc2c1cc2ccc(cc2oc1=O)OCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C30H20O6/c1-33-26-8-4-7-23-24(16-28(31)36-29(23)26)25-14-21-11-12-22(15-27(21)35-30(25)32)34-17-18-9-10-19-5-2-3-6-20(19)13-18/h2-16H,17H2,1H3
• InChIKey: LZHOVBXHGDIMLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164266896
• PubChem CID: 4837279

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.3074083
• LogD (pH = 7.4): 5.3074083
• Log P: 5.3074083
• Molar Refractivity: 134.7213 cm^3
• Polarizability: 52.79407 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