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

4,4'-[(3-Ethoxy-2-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 ID2351499

More details:






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

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

BAS 00244505 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 660.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 353.0±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): 589.53
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.84
ACD/KOC (pH 7.4): 586.56
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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