ChemSpider 2D Image | 4,4'-{[4-(Allyloxy)phenyl]methylene}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) | C32H32N4O3

4,4'-{[4-(Allyloxy)phenyl]methylene}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID2596197

More details:

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

3H-Pyrazol-3-one, 4,4'-[[4-(2-propen-1-yloxy)phenyl]methylene]bis[1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4,4'-{[4-(Allyloxy)phenyl]methylen}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on) [German] [ACD/IUPAC Name]
4,4'-{[4-(Allyloxy)phenyl]methylene}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) [ACD/IUPAC Name]
4,4'-{[4-(Allyloxy)phényl]méthylène}bis(1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one) [French] [ACD/IUPAC Name]
4,4'-((4-(allyloxy)phenyl)methylene)bis(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one)
4,4'-{[4-(prop-2-en-1-yloxy)phenyl]methanediyl}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
4-[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(4-prop-2-enyloxyphenyl)meth yl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
4-[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(4-prop-2-enyloxyphenyl)methyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
4-[(4-allyloxyphenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A0233/0010525 [DBID]
ChemDiv1_024878 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.7±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 151.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 332.88
ACD/KOC (pH 5.5): 2223.59
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.89
ACD/KOC (pH 7.4): 2223.65
Polar Surface Area: 56 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 425.3±3.0 cm3

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