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

• ChemBase ID: 207878
• Molecular Formular: C29H18O5
• Molecular Mass: 446.45022
• Monoisotopic Mass: 446.11542368
• SMILES: c1(c2c(=O)oc3c(c2)cccc3)c2c(oc(=O)c1)cc(OCc1cc3c(cc1)cccc3)cc2
• Canonical SMILES: O=c1oc2cc(OCc3ccc4c(c3)cccc4)ccc2c(c1)c1cc2ccccc2oc1=O
• InChI: InChI=1S/C29H18O5/c30-28-16-24(25-14-21-7-3-4-8-26(21)34-29(25)31)23-12-11-22(15-27(23)33-28)32-17-18-9-10-19-5-1-2-6-20(19)13-18/h1-16H,17H2
• InChIKey: ADUZRXKAJPUSHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263788
• PubChem CID: 1781640

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.46508
• LogD (pH = 7.4): 5.46508
• Log P: 5.46508
• Molar Refractivity: 128.2581 cm^3
• Polarizability: 50.29109 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds