ChemSpider 2D Image | 4-[Bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methylbenzoate | C35H30N4O4

4-[Bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methylbenzoate

  • Molecular FormulaC35H30N4O4
  • Average mass570.637 Da
  • Monoisotopic mass570.226685 Da
  • ChemSpider ID12814325

More details:






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

4-[Bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methylbenzoate [ACD/IUPAC Name]
4-[Bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl-4-methylbenzoat [German] [ACD/IUPAC Name]
4-Méthylbenzoate de 4-[bis(5-hydroxy-3-méthyl-1-phényl-1H-pyrazol-4-yl)méthyl]phényle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-, 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl ester [ACD/Index Name]
4-[bis(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methyl]phenyl 4-methylbenzoate
4-Methyl-benzoic acid 4-[bis-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-methyl]-phenyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 766.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 417.5±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 166.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 54105.22
ACD/KOC (pH 5.5): 84978.38
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 46632.77
ACD/KOC (pH 7.4): 73242.03
Polar Surface Area: 102 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 450.6±7.0 cm3

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