4,9-dimethyl-3-(naphthalen-2-yl)-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 196792
• Molecular Formular: C23H16O3
• Molecular Mass: 340.37134
• Monoisotopic Mass: 340.10994437
• SMILES: c12c3c(cc(=O)oc3cc(c1c(co2)c1cc2c(cc1)cccc2)C)C
• Canonical SMILES: O=c1cc(C)c2c(o1)cc(c1c2occ1c1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C23H16O3/c1-13-9-19-22(14(2)10-20(24)26-19)23-21(13)18(12-25-23)17-8-7-15-5-3-4-6-16(15)11-17/h3-12H,1-2H3
• InChIKey: GMCILVHUEICTDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,9-dimethyl-3-(naphthalen-2-yl)-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 4,9-dimethyl-3-(naphthalen-2-yl)furo[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164252702
• PubChem CID: 907392

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: 42.321266 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