ChemSpider 2D Image | (2Z)-2-[(4R)-4-(4-Chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2H)-naphthalenone | C22H19ClO3

(2Z)-2-[(4R)-4-(4-Chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2H)-naphthalenone

  • Molecular FormulaC22H19ClO3
  • Average mass366.837 Da
  • Monoisotopic mass366.102264 Da
  • ChemSpider ID64873348
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2Z)-2-[(4R)-4-(4-Chlorophényl)cyclohexylidène]-3,4-dihydroxy-1(2H)-naphtalénone [French] [ACD/IUPAC Name]
(2Z)-2-[(4R)-4-(4-Chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2H)-naphthalenone [ACD/IUPAC Name]
(2Z)-2-[(4R)-4-(4-Chlorphenyl)cyclohexyliden]-3,4-dihydroxy-1(2H)-naphthalinon [German] [ACD/IUPAC Name]
1(2H)-Naphthalenone, 2-[(4R)-4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxy-, (2Z)- [ACD/Index Name]
2-[4-(4-Chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2H)-naphthalenone [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 539.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.9±30.1 °C
Index of Refraction: 1.696
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3248.51
ACD/KOC (pH 5.5): 11356.49
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3219.87
ACD/KOC (pH 7.4): 11256.37
Polar Surface Area: 58 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 261.5±3.0 cm3

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