ChemSpider 2D Image | 4,4'-[(3-Ethoxy-4-hydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) | C31H32N4O4

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

  • Molecular FormulaC31H32N4O4
  • Average mass524.610 Da
  • Monoisotopic mass524.242371 Da
  • ChemSpider ID4164737

More details:

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

3H-Pyrazol-3-one, 4,4'-[(3-ethoxy-4-hydroxyphenyl)methylene]bis[1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4,4'-[(3-Ethoxy-4-hydroxyphenyl)methylen]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on) [German] [ACD/IUPAC Name]
4,4'-[(3-Ethoxy-4-hydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) [ACD/IUPAC Name]
4,4'-[(3-Éthoxy-4-hydroxyphényl)méthylène]bis(1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one) [French] [ACD/IUPAC Name]
314035-28-4 [RN]
4,4'-((3-ethoxy-4-hydroxyphenyl)methylene)bis(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one)
4,4'-[(3-ethoxy-4-hydroxyphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(3-ethoxy-4-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ChemDiv1_019611 [DBID]
EU-0017713 [DBID]
ZINC04425409 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 663.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.1±3.0 kJ/mol
    Flash Point: 354.8±34.3 °C
    Index of Refraction: 1.645
    Molar Refractivity: 149.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 2.56
    ACD/BCF (pH 5.5): 52.10
    ACD/KOC (pH 5.5): 589.54
    ACD/LogD (pH 7.4): 2.56
    ACD/BCF (pH 7.4): 51.95
    ACD/KOC (pH 7.4): 587.89
    Polar Surface Area: 77 Å2
    Polarizability: 59.3±0.5 10-24cm3
    Surface Tension: 54.7±3.0 dyne/cm
    Molar Volume: 412.1±3.0 cm3

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