ChemSpider 2D Image | (2E,4E)-5-(4-Chlorophenyl)-1-(2,4-dihydroxyphenyl)-2,4-pentadien-1-one | C17H13ClO3

(2E,4E)-5-(4-Chlorophenyl)-1-(2,4-dihydroxyphenyl)-2,4-pentadien-1-one

  • Molecular FormulaC17H13ClO3
  • Average mass300.736 Da
  • Monoisotopic mass300.055328 Da
  • ChemSpider ID29414488
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,4E)-5-(4-Chlorophenyl)-1-(2,4-dihydroxyphenyl)-2,4-pentadien-1-one [ACD/IUPAC Name]
(2E,4E)-5-(4-Chlorophényl)-1-(2,4-dihydroxyphényl)-2,4-pentadién-1-one [French] [ACD/IUPAC Name]
(2E,4E)-5-(4-Chlorphenyl)-1-(2,4-dihydroxyphenyl)-2,4-pentadien-1-on [German] [ACD/IUPAC Name]
2,4-Pentadien-1-one, 5-(4-chlorophenyl)-1-(2,4-dihydroxyphenyl)-, (2E,4E)- [ACD/Index Name]
10.1016/j.ejmech.2012.11.006

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

Density: 1.3±0.1 g/cm3
Boiling Point: 518.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 267.3±27.9 °C
Index of Refraction: 1.680
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1378.12
ACD/KOC (pH 5.5): 6113.12
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 529.72
ACD/KOC (pH 7.4): 2349.76
Polar Surface Area: 58 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 225.3±3.0 cm3

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