ChemSpider 2D Image | (2E)-3-[3-Bromo-5-ethoxy-4-(3-hydroxypropoxy)phenyl]-1-(2,3,5,6-tetramethylphenyl)-2-propen-1-one | C24H29BrO4

(2E)-3-[3-Bromo-5-ethoxy-4-(3-hydroxypropoxy)phenyl]-1-(2,3,5,6-tetramethylphenyl)-2-propen-1-one

  • Molecular FormulaC24H29BrO4
  • Average mass461.389 Da
  • Monoisotopic mass460.124908 Da
  • ChemSpider ID126737023

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[3-Brom-5-ethoxy-4-(3-hydroxypropoxy)phenyl]-1-(2,3,5,6-tetramethylphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[3-Bromo-5-ethoxy-4-(3-hydroxypropoxy)phenyl]-1-(2,3,5,6-tetramethylphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[3-Bromo-5-éthoxy-4-(3-hydroxypropoxy)phényl]-1-(2,3,5,6-tétraméthylphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[3-bromo-5-ethoxy-4-(3-hydroxypropoxy)phenyl]-1-(2,3,5,6-tetramethylphenyl)-, (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: 611.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 122.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17503.21
ACD/KOC (pH 5.5): 37914.97
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17503.21
ACD/KOC (pH 7.4): 37914.97
Polar Surface Area: 56 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 366.1±3.0 cm3

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