ChemSpider 2D Image | (2E,4E)-5-(4-Chlorophenyl)-1-(2-hydroxy-4-methoxyphenyl)-2,4-pentadien-1-one | C18H15ClO3

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

  • Molecular FormulaC18H15ClO3
  • Average mass314.763 Da
  • Monoisotopic mass314.070984 Da
  • ChemSpider ID29417894
  • 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-hydroxy-4-methoxyphenyl)-2,4-pentadien-1-one [ACD/IUPAC Name]
(2E,4E)-5-(4-Chlorophényl)-1-(2-hydroxy-4-méthoxyphényl)-2,4-pentadién-1-one [French] [ACD/IUPAC Name]
(2E,4E)-5-(4-Chlorphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2,4-pentadien-1-on [German] [ACD/IUPAC Name]
2,4-Pentadien-1-one, 5-(4-chlorophenyl)-1-(2-hydroxy-4-methoxyphenyl)-, (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: 519.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2214.73
ACD/KOC (pH 5.5): 8589.24
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 923.55
ACD/KOC (pH 7.4): 3581.74
Polar Surface Area: 47 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 250.8±3.0 cm3

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