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

• ChemBase ID: 189384
• Molecular Formular: C25H20O3
• Molecular Mass: 368.4245
• Monoisotopic Mass: 368.1412445
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)CCCC)c2)c1cc2c(cc1)cccc2
• Canonical SMILES: CCCCc1cc(=O)oc2c1cc1c(c2)occ1c1ccc2c(c1)cccc2
• InChI: InChI=1S/C25H20O3/c1-2-3-6-18-12-25(26)28-24-14-23-21(13-20(18)24)22(15-27-23)19-10-9-16-7-4-5-8-17(16)11-19/h4-5,7-15H,2-3,6H2,1H3
• InChIKey: ZIQJWWFXRNQGKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245294
• PubChem CID: 1795349

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.2122855
• LogD (pH = 7.4): 6.2122855
• Log P: 6.2122855
• Molar Refractivity: 110.0611 cm^3
• Polarizability: 46.095524 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds