5,6,9-trimethyl-3-(4-pentylphenyl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 187535
• Molecular Formular: C25H26O3
• Molecular Mass: 374.47214
• Monoisotopic Mass: 374.18819469
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)occ1c1ccc(cc1)CCCCC
• Canonical SMILES: CCCCCc1ccc(cc1)c1coc2c1cc1c(c2C)oc(=O)c(c1C)C
• InChI: InChI=1S/C25H26O3/c1-5-6-7-8-18-9-11-19(12-10-18)22-14-27-23-17(4)24-20(13-21(22)23)15(2)16(3)25(26)28-24/h9-14H,5-8H2,1-4H3
• InChIKey: OQXQWLDAXYDCHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,9-trimethyl-3-(4-pentylphenyl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5,6,9-trimethyl-3-(4-pentylphenyl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164243445
• PubChem CID: 1765152

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.089771
• LogD (pH = 7.4): 7.089771
• Log P: 7.089771
• Molar Refractivity: 112.6514 cm^3
• Polarizability: 45.706078 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds