7-[(2-methylnaphthalen-1-yl)methoxy]-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-2-one

• ChemBase ID: 206575
• Molecular Formular: C30H20O5
• Molecular Mass: 460.4768
• Monoisotopic Mass: 460.13107374
• SMILES: c1(c2c(=O)oc3c(c2)cccc3)c2c(oc(=O)c1)cc(OCc1c3c(ccc1C)cccc3)cc2
• Canonical SMILES: O=c1oc2cc(ccc2c(c1)c1cc2ccccc2oc1=O)OCc1c(C)ccc2c1cccc2
• InChI: InChI=1S/C30H20O5/c1-18-10-11-19-6-2-4-8-22(19)26(18)17-33-21-12-13-23-24(16-29(31)34-28(23)15-21)25-14-20-7-3-5-9-27(20)35-30(25)32/h2-16H,17H2,1H3
• InChIKey: HSSZHKIOHSCPII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-methylnaphthalen-1-yl)methoxy]-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-2-one
• IUPAC Traditional name: 7-[(2-methylnaphthalen-1-yl)methoxy]-4-(2-oxochromen-3-yl)chromen-2-one

Database IDs

• PubChem SID: 164262485
• PubChem CID: 1776018

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9785013
• LogD (pH = 7.4): 5.9785013
• Log P: 5.9785013
• Molar Refractivity: 133.2993 cm^3
• Polarizability: 52.05724 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