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

• ChemBase ID: 194783
• Molecular Formular: C26H22O3
• Molecular Mass: 382.45108
• Monoisotopic Mass: 382.15689456
• SMILES: c12c3c(cc(=O)oc3cc(c1c(co2)c1cc2c(cc1)cccc2)C)CCCC
• Canonical SMILES: CCCCc1cc(=O)oc2c1c1occ(c1c(c2)C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C26H22O3/c1-3-4-7-20-14-23(27)29-22-12-16(2)24-21(15-28-26(24)25(20)22)19-11-10-17-8-5-6-9-18(17)13-19/h5-6,8-15H,3-4,7H2,1-2H3
• InChIKey: HLJMRBYKFINSCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250693
• PubChem CID: 1798259

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.725707
• LogD (pH = 7.4): 6.725707
• Log P: 6.725707
• Molar Refractivity: 115.1023 cm^3
• Polarizability: 47.861214 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