ChemSpider 2D Image | 4,4'-{[4-(Hexyloxy)phenyl]methylene}bis(3-methyl-1-phenyl-1H-pyrazol-5-ol) | C33H36N4O3

4,4'-{[4-(Hexyloxy)phenyl]methylene}bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)

  • Molecular FormulaC33H36N4O3
  • Average mass536.664 Da
  • Monoisotopic mass536.278748 Da
  • ChemSpider ID12814285

More details:

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

1H-Pyrazol-5-ol, 4,4'-[[4-(hexyloxy)phenyl]methylene]bis[3-methyl-1-phenyl- [ACD/Index Name]
4,4'-{[4-(Hexyloxy)phenyl]methylen}bis(3-methyl-1-phenyl-1H-pyrazol-5-ol) [German] [ACD/IUPAC Name]
4,4'-{[4-(Hexyloxy)phenyl]methylene}bis(3-methyl-1-phenyl-1H-pyrazol-5-ol) [ACD/IUPAC Name]
4,4'-{[4-(Hexyloxy)phényl]méthylène}bis(3-méthyl-1-phényl-1H-pyrazol-5-ol) [French] [ACD/IUPAC Name]
312309-41-4 [RN]
4,4'-((4-(hexyloxy)phenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
4,4'-{[4-(hexyloxy)phenyl]methanediyl}bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
4-{[4-(HEXYLOXY)PHENYL](5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYL}-3-METHYL-1-PHENYL-1H-PYRAZOL-5-OL
4-{[4-(HEXYLOXY)PHENYL](5-HYDROXY-3-METHYL-1-PHENYLPYRAZOL-4-YL)METHYL}-5-METHYL-2-PHENYLPYRAZOL-3-OL

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 707.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.1±3.0 kJ/mol
    Flash Point: 381.4±32.9 °C
    Index of Refraction: 1.622
    Molar Refractivity: 158.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 8.84
    ACD/LogD (pH 5.5): 7.59
    ACD/BCF (pH 5.5): 346119.50
    ACD/KOC (pH 5.5): 320779.78
    ACD/LogD (pH 7.4): 7.54
    ACD/BCF (pH 7.4): 307334.50
    ACD/KOC (pH 7.4): 284834.25
    Polar Surface Area: 85 Å2
    Polarizability: 62.8±0.5 10-24cm3
    Surface Tension: 45.8±7.0 dyne/cm
    Molar Volume: 449.9±7.0 cm3

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