ChemSpider 2D Image | 4-{[8-(3-Methylphenyl)-5-octyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]methyl}phenol | C33H40N2O

4-{[8-(3-Methylphenyl)-5-octyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]methyl}phenol

  • Molecular FormulaC33H40N2O
  • Average mass480.684 Da
  • Monoisotopic mass480.314056 Da
  • ChemSpider ID58968214

More details:

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

4-{[8-(3-Methylphenyl)-5-octyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]methyl}phenol [German] [ACD/IUPAC Name]
4-{[8-(3-Methylphenyl)-5-octyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]methyl}phenol [ACD/IUPAC Name]
4-{[8-(3-Méthylphényl)-5-octyl-1,3,4,5-tétrahydro-2H-pyrido[4,3-b]indol-2-yl]méthyl}phénol [French] [ACD/IUPAC Name]
Phenol, 4-[[1,3,4,5-tetrahydro-8-(3-methylphenyl)-5-octyl-2H-pyrido[4,3-b]indol-2-yl]methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 653.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 349.0±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 150.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 9.02
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 10540.37
ACD/KOC (pH 5.5): 4551.94
ACD/LogD (pH 7.4): 8.09
ACD/BCF (pH 7.4): 468442.41
ACD/KOC (pH 7.4): 202300.47
Polar Surface Area: 28 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 437.8±7.0 cm3

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