5,9-dimethyl-3-(naphthalen-2-yl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 195309
• Molecular Formular: C23H16O3
• Molecular Mass: 340.37134
• Monoisotopic Mass: 340.10994437
• SMILES: c12c(c(cc(=O)o2)C)cc2c(c1C)occ2c1cc2c(cc1)cccc2
• Canonical SMILES: O=c1cc(C)c2c(o1)c(C)c1c(c2)c(co1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C23H16O3/c1-13-9-21(24)26-23-14(2)22-19(11-18(13)23)20(12-25-22)17-8-7-15-5-3-4-6-16(15)10-17/h3-12H,1-2H3
• InChIKey: JTBGFJPCHRNWRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,9-dimethyl-3-(naphthalen-2-yl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5,9-dimethyl-3-(naphthalen-2-yl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164251219
• PubChem CID: 907136

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.392001
• LogD (pH = 7.4): 5.392001
• Log P: 5.392001
• Molar Refractivity: 101.2993 cm^3
• Polarizability: 42.319843 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds