7-(naphthalen-1-ylmethoxy)-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-2-one

• ChemBase ID: 208463
• Molecular Formular: C29H18O5
• Molecular Mass: 446.45022
• Monoisotopic Mass: 446.11542368
• SMILES: c1(c2c(=O)oc3c(c2)cccc3)c2c(oc(=O)c1)cc(OCc1c3c(ccc1)cccc3)cc2
• Canonical SMILES: O=c1oc2cc(ccc2c(c1)c1cc2ccccc2oc1=O)OCc1cccc2c1cccc2
• InChI: InChI=1S/C29H18O5/c30-28-16-24(25-14-19-7-2-4-11-26(19)34-29(25)31)23-13-12-21(15-27(23)33-28)32-17-20-9-5-8-18-6-1-3-10-22(18)20/h1-16H,17H2
• InChIKey: GZZIGJSCWWTILI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(naphthalen-1-ylmethoxy)-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-2-one
• IUPAC Traditional name: 7-(naphthalen-1-ylmethoxy)-4-(2-oxochromen-3-yl)chromen-2-one

Database IDs

• PubChem SID: 164264373
• PubChem CID: 1783938

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: 50.292164 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