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

• ChemBase ID: 194887
• Molecular Formular: C24H18O3
• Molecular Mass: 354.39792
• Monoisotopic Mass: 354.12559444
• SMILES: c1(c2c(oc(=O)c1CC)cc1c(c(co1)c1cc3c(cc1)cccc3)c2)C
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc2c(c1)cccc2
• InChI: InChI=1S/C24H18O3/c1-3-18-14(2)19-11-20-21(13-26-22(20)12-23(19)27-24(18)25)17-9-8-15-6-4-5-7-16(15)10-17/h4-13H,3H2,1-2H3
• InChIKey: ZFGZWFFJUWGZNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-5-methyl-3-(naphthalen-2-yl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-ethyl-5-methyl-3-(naphthalen-2-yl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164250797
• PubChem CID: 1798414

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.718699
• LogD (pH = 7.4): 5.718699
• Log P: 5.718699
• Molar Refractivity: 105.2162 cm^3
• Polarizability: 44.248802 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