5-methyl-3-(naphthalen-2-yl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 189428
• Molecular Formular: C22H14O3
• Molecular Mass: 326.34476
• Monoisotopic Mass: 326.09429431
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)C)c2)c1cc2c(cc1)cccc2
• Canonical SMILES: O=c1cc(C)c2c(o1)cc1c(c2)c(co1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C22H14O3/c1-13-8-22(23)25-21-11-20-18(10-17(13)21)19(12-24-20)16-7-6-14-4-2-3-5-15(14)9-16/h2-12H,1H3
• InChIKey: QSUMPAZHNWVKET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-3-(naphthalen-2-yl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5-methyl-3-(naphthalen-2-yl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164245338
• PubChem CID: 904845

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8785796
• LogD (pH = 7.4): 4.8785796
• Log P: 4.8785796
• Molar Refractivity: 96.2581 cm^3
• Polarizability: 40.555836 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds