ChemSpider 2D Image | (3S)-3-Hydroxy-2-(cis-4-methylcyclohexyl)-3-phenyl-1-isoindolinone | C21H23NO2

(3S)-3-Hydroxy-2-(cis-4-methylcyclohexyl)-3-phenyl-1-isoindolinone

  • Molecular FormulaC21H23NO2
  • Average mass321.413 Da
  • Monoisotopic mass321.172882 Da
  • ChemSpider ID62677795

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S)-3-Hydroxy-2-(cis-4-methylcyclohexyl)-3-phenyl-1-isoindolinon [German] [ACD/IUPAC Name]
(3S)-3-Hydroxy-2-(cis-4-methylcyclohexyl)-3-phenyl-1-isoindolinone [ACD/IUPAC Name]
(3S)-3-Hydroxy-2-(cis-4-méthylcyclohexyl)-3-phényl-1-isoindolinone [French] [ACD/IUPAC Name]
1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-(cis-4-methylcyclohexyl)-3-phenyl-, (3S)- [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: 512.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.6±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.42
ACD/KOC (pH 5.5): 1382.75
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.39
ACD/KOC (pH 7.4): 1382.56
Polar Surface Area: 41 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 265.8±3.0 cm3

Click to predict properties on the Chemicalize site


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