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

• ChemBase ID: 194913
• Molecular Formular: C25H20O3
• Molecular Mass: 368.4245
• Monoisotopic Mass: 368.1412445
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)occ2c1cc2c(cc1)cccc2
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1c(coc1c2C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C25H20O3/c1-3-6-18-12-23(26)28-25-15(2)24-21(13-20(18)25)22(14-27-24)19-10-9-16-7-4-5-8-17(16)11-19/h4-5,7-14H,3,6H2,1-2H3
• InChIKey: OQSCEHWYLWAENA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250823
• PubChem CID: 1798436

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.2811384
• LogD (pH = 7.4): 6.2811384
• Log P: 6.2811384
• Molar Refractivity: 110.5013 cm^3
• Polarizability: 46.013073 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds