ChemSpider 2D Image | (2E)-3-[3,5-Dibromo-2-(2-hydroxyethoxy)phenyl]-1-(5-isopropyl-4-methoxy-2-methylphenyl)-2-propen-1-one | C22H24Br2O4

(2E)-3-[3,5-Dibromo-2-(2-hydroxyethoxy)phenyl]-1-(5-isopropyl-4-methoxy-2-methylphenyl)-2-propen-1-one

  • Molecular FormulaC22H24Br2O4
  • Average mass512.232 Da
  • Monoisotopic mass510.004120 Da
  • ChemSpider ID126681717

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[3,5-Dibrom-2-(2-hydroxyethoxy)phenyl]-1-(5-isopropyl-4-methoxy-2-methylphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[3,5-Dibromo-2-(2-hydroxyethoxy)phenyl]-1-(5-isopropyl-4-methoxy-2-methylphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[3,5-Dibromo-2-(2-hydroxyéthoxy)phényl]-1-(5-isopropyl-4-méthoxy-2-méthylphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[3,5-dibromo-2-(2-hydroxyethoxy)phenyl]-1-[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 614.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.4±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 121.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19555.11
ACD/KOC (pH 5.5): 41045.95
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19555.11
ACD/KOC (pH 7.4): 41045.95
Polar Surface Area: 56 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 350.6±3.0 cm3

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