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

• ChemBase ID: 194963
• Molecular Formular: C24H18O3
• Molecular Mass: 354.39792
• Monoisotopic Mass: 354.12559444
• SMILES: c12c3c(cc(=O)oc3cc(c1c(co2)c1cc2c(cc1)cccc2)C)CC
• Canonical SMILES: CCc1cc(=O)oc2c1c1occ(c1c(c2)C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C24H18O3/c1-3-15-12-21(25)27-20-10-14(2)22-19(13-26-24(22)23(15)20)18-9-8-16-6-4-5-7-17(16)11-18/h4-13H,3H2,1-2H3
• InChIKey: GEWAGZCYUDSRFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250873
• PubChem CID: 1798517

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.83657
• LogD (pH = 7.4): 5.83657
• Log P: 5.83657
• Molar Refractivity: 105.9003 cm^3
• Polarizability: 44.16782 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