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

2-[cis-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone

  • Molecular FormulaC22H19ClO3
  • Average mass366.837 Da
  • Monoisotopic mass366.102264 Da
  • ChemSpider ID21258076

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1,4-Naphthalenedione, 2-[cis-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy- [ACD/Index Name]
2-[cis-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone [ACD/IUPAC Name]
2-[cis-4-(4-Chlorophényl)cyclohexyl]-3-hydroxy-1,4-naphtoquinone [French] [ACD/IUPAC Name]
2-[cis-4-(4-Chlorphenyl)cyclohexyl]-3-hydroxy-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione
2-[trans-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione
566C80
Atovaquone|566C80
BW-566C
MFCD00889188 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 535.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.3±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: 6.18
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 705.02
ACD/KOC (pH 5.5): 2552.54
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 12.60
ACD/KOC (pH 7.4): 45.63
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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