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

• ChemBase ID: 194761
• Molecular Formular: C25H20O3
• Molecular Mass: 368.4245
• Monoisotopic Mass: 368.1412445
• SMILES: c12c3c(cc(=O)oc3cc(c1c(co2)c1cc2c(cc1)cccc2)C)CCC
• Canonical SMILES: CCCc1cc(=O)oc2c1c1occ(c1c(c2)C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C25H20O3/c1-3-6-19-13-22(26)28-21-11-15(2)23-20(14-27-25(23)24(19)21)18-10-9-16-7-4-5-8-17(16)12-18/h4-5,7-14H,3,6H2,1-2H3
• InChIKey: SHGKAKVNGQCRPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250671
• PubChem CID: 1798222

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: 46.0145 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