ChemSpider 2D Image | 3-[trans-4-(4-Chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthalenedione | C22H19ClO3

3-[trans-4-(4-Chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthalenedione

  • Molecular FormulaC22H19ClO3
  • Average mass366.837 Da
  • Monoisotopic mass366.102264 Da
  • ChemSpider ID23212087

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2-Naphthalenedione, 3-[trans-4-(4-chlorophenyl)cyclohexyl]-4-hydroxy- [ACD/Index Name]
3-[trans-4-(4-Chlorophényl)cyclohexyl]-4-hydroxy-1,2-naphtalènedione [French] [ACD/IUPAC Name]
3-[trans-4-(4-Chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthalenedione [ACD/IUPAC Name]
3-[trans-4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione
3-[trans-4-(4-Chlorphenyl)cyclohexyl]-4-hydroxy-1,2-naphthalindion [German] [ACD/IUPAC Name]
2-[4-(4-Chloro-phenyl)-cyclohexyl]-3-hydroxy-[1,4]naphthoquinone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 542.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.7±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 271.76
ACD/KOC (pH 5.5): 973.67
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 4.69
ACD/KOC (pH 7.4): 16.80
Polar Surface Area: 54 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 271.8±3.0 cm3

Click to predict properties on the Chemicalize site


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