ChemSpider 2D Image | (2E)-3-[3-Chloro-4-(2-hydroxyethoxy)-5-methoxyphenyl]-1-[4-(heptyloxy)phenyl]-2-propen-1-one | C25H31ClO5

(2E)-3-[3-Chloro-4-(2-hydroxyethoxy)-5-methoxyphenyl]-1-[4-(heptyloxy)phenyl]-2-propen-1-one

  • Molecular FormulaC25H31ClO5
  • Average mass446.964 Da
  • Monoisotopic mass446.186005 Da
  • ChemSpider ID126699565
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-[3-Chlor-4-(2-hydroxyethoxy)-5-methoxyphenyl]-1-[4-(heptyloxy)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[3-Chloro-4-(2-hydroxyethoxy)-5-methoxyphenyl]-1-[4-(heptyloxy)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[3-Chloro-4-(2-hydroxyéthoxy)-5-méthoxyphényl]-1-[4-(heptyloxy)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[3-chloro-4-(2-hydroxyethoxy)-5-methoxyphenyl]-1-[4-(heptyloxy)phenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 322.8±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 126.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 82636.05
ACD/KOC (pH 5.5): 115156.85
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 82636.05
ACD/KOC (pH 7.4): 115156.85
Polar Surface Area: 65 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 386.8±3.0 cm3

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