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Search term: XZQUTKGLNDRNRU-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(2-{2-Hydroxy-3-[4-(2-methylphenyl)-1-piperazinyl]propoxy}phenyl)-3-(4-methylphenyl)-1-propanone | C30H36N2O3

1-(2-{2-Hydroxy-3-[4-(2-methylphenyl)-1-piperazinyl]propoxy}phenyl)-3-(4-methylphenyl)-1-propanone

  • Molecular FormulaC30H36N2O3
  • Average mass472.618 Da
  • Monoisotopic mass472.272583 Da
  • ChemSpider ID23281047

More details:

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

1-(2-{2-Hydroxy-3-[4-(2-methylphenyl)-1-piperazinyl]propoxy}phenyl)-3-(4-methylphenyl)-1-propanon [German] [ACD/IUPAC Name]
1-(2-{2-Hydroxy-3-[4-(2-methylphenyl)-1-piperazinyl]propoxy}phenyl)-3-(4-methylphenyl)-1-propanone [ACD/IUPAC Name]
1-(2-{2-Hydroxy-3-[4-(2-méthylphényl)-1-pipérazinyl]propoxy}phényl)-3-(4-méthylphényl)-1-propanone [French] [ACD/IUPAC Name]
1-(2-{2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy}phenyl)-3-(4-methylphenyl)propan-1-one
1-Propanone, 1-[2-[2-hydroxy-3-[4-(2-methylphenyl)-1-piperazinyl]propoxy]phenyl]-3-(4-methylphenyl)- [ACD/Index Name]
1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy)phenyl)-3-p-tolylpropan-1-one
CHEMBL223105

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

Density: 1.1±0.1 g/cm3
Boiling Point: 662.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 363.63
ACD/KOC (pH 5.5): 920.28
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 7448.98
ACD/KOC (pH 7.4): 18851.93
Polar Surface Area: 53 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 414.4±3.0 cm3

Click to predict properties on the Chemicalize site


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