ChemSpider 2D Image | (2E)-1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-hydroxy-3-phenyl-2-propen-1-one | C16H13ClO3

(2E)-1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-hydroxy-3-phenyl-2-propen-1-one

  • Molecular FormulaC16H13ClO3
  • Average mass288.726 Da
  • Monoisotopic mass288.055328 Da
  • ChemSpider ID30654457

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(5-Chlor-2-hydroxy-4-methylphenyl)-3-hydroxy-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-hydroxy-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(5-Chloro-2-hydroxy-4-méthylphényl)-3-hydroxy-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(5-chloro-2-hydroxy-4-methylphenyl)-3-hydroxy-3-phenyl-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 494.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.0±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1437.94
ACD/KOC (pH 5.5): 6292.78
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 468.32
ACD/KOC (pH 7.4): 2049.50
Polar Surface Area: 58 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 217.3±3.0 cm3

Click to predict properties on the Chemicalize site


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