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

• ChemBase ID: 186525
• Molecular Formular: C25H26O3
• Molecular Mass: 374.47214
• Monoisotopic Mass: 374.18819469
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)CCC)c2)c1ccc(cc1)CCCCC
• Canonical SMILES: CCCCCc1ccc(cc1)c1coc2c1cc1c(CCC)cc(=O)oc1c2
• InChI: InChI=1S/C25H26O3/c1-3-5-6-8-17-9-11-18(12-10-17)22-16-27-23-15-24-20(14-21(22)23)19(7-4-2)13-25(26)28-24/h9-16H,3-8H2,1-2H3
• InChIKey: PVKZRBRQBKDMHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242435
• PubChem CID: 1801637

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.0699363
• LogD (pH = 7.4): 7.0699363
• Log P: 7.0699363
• Molar Refractivity: 112.4551 cm^3
• Polarizability: 45.786987 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds