ChemSpider 2D Image | 2-[3-(2-Chloro-5-methylphenoxy)-3-phenylpropyl]-1,2,3,4-tetrahydroisoquinoline | C25H26ClNO

2-[3-(2-Chloro-5-methylphenoxy)-3-phenylpropyl]-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC25H26ClNO
  • Average mass391.933 Da
  • Monoisotopic mass391.170288 Da
  • ChemSpider ID22722594

More details:

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

2-[3-(2-Chlor-5-methylphenoxy)-3-phenylpropyl]-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
2-[3-(2-Chloro-5-méthylphénoxy)-3-phénylpropyl]-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-[3-(2-Chloro-5-methylphenoxy)-3-phenylpropyl]-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 2-[3-(2-chloro-5-methylphenoxy)-3-phenylpropyl]-1,2,3,4-tetrahydro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.6±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 91.43
ACD/KOC (pH 5.5): 159.01
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 4352.30
ACD/KOC (pH 7.4): 7569.08
Polar Surface Area: 12 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 339.5±3.0 cm3

Click to predict properties on the Chemicalize site


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