ChemSpider 2D Image | 5-Cyclohexyl-2-methyl-3-(phenylsulfonyl)-1-benzofuran | C21H22O3S

5-Cyclohexyl-2-methyl-3-(phenylsulfonyl)-1-benzofuran

  • Molecular FormulaC21H22O3S
  • Average mass354.463 Da
  • Monoisotopic mass354.128967 Da
  • ChemSpider ID30656716

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5-Cyclohexyl-2-methyl-3-(phenylsulfonyl)-1-benzofuran [German] [ACD/IUPAC Name]
5-Cyclohexyl-2-methyl-3-(phenylsulfonyl)-1-benzofuran [ACD/IUPAC Name]
5-Cyclohexyl-2-méthyl-3-(phénylsulfonyl)-1-benzofurane [French] [ACD/IUPAC Name]
Benzofuran, 5-cyclohexyl-2-methyl-3-(phenylsulfonyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 537.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 278.9±26.8 °C
Index of Refraction: 1.605
Molar Refractivity: 100.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4581.54
ACD/KOC (pH 5.5): 14525.97
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4581.54
ACD/KOC (pH 7.4): 14525.97
Polar Surface Area: 56 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 292.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement