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

• ChemBase ID: 194828
• Molecular Formular: C23H16O3
• Molecular Mass: 340.37134
• Monoisotopic Mass: 340.10994437
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)CC)c2)c1cc2c(cc1)cccc2
• Canonical SMILES: CCc1cc(=O)oc2c1cc1c(c2)occ1c1ccc2c(c1)cccc2
• InChI: InChI=1S/C23H16O3/c1-2-14-10-23(24)26-22-12-21-19(11-18(14)22)20(13-25-21)17-8-7-15-5-3-4-6-16(15)9-17/h3-13H,2H2,1H3
• InChIKey: VEPRGUIRLOTUEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250738
• PubChem CID: 906959

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3231483
• LogD (pH = 7.4): 5.3231483
• Log P: 5.3231483
• Molar Refractivity: 100.8591 cm^3
• Polarizability: 42.40229 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds