ChemSpider 2D Image | (4E)-4-(4-sec-Butoxy-3-ethoxy-5-iodobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one | C23H25IN2O3

(4E)-4-(4-sec-Butoxy-3-ethoxy-5-iodobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC23H25IN2O3
  • Average mass504.361 Da
  • Monoisotopic mass504.090973 Da
  • ChemSpider ID81295514

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(4-sec-Butoxy-3-ethoxy-5-iodbenzyliden)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
(4E)-4-(4-sec-Butoxy-3-ethoxy-5-iodobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4E)-4-(4-sec-Butoxy-3-éthoxy-5-iodobenzylidène)-5-méthyl-2-phényl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 4-[[3-ethoxy-5-iodo-4-(1-methylpropoxy)phenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-, (4E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 574.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.1±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 123.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6976.06
ACD/KOC (pH 5.5): 19626.69
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6976.08
ACD/KOC (pH 7.4): 19626.76
Polar Surface Area: 51 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 357.0±7.0 cm3

Click to predict properties on the Chemicalize site


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