ChemSpider 2D Image | 3-[(1r)-2-Acetyl-6-Methyl-2,3,4,9-Tetrahydro-1h-Beta-Carbolin-1-Yl]phenol | C20H20N2O2

3-[(1r)-2-Acetyl-6-Methyl-2,3,4,9-Tetrahydro-1h-β-Carbolin-1-Yl]phenol

  • Molecular FormulaC20H20N2O2
  • Average mass320.385 Da
  • Monoisotopic mass320.152466 Da
  • ChemSpider ID25058614

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(1R)-1-(3-Hydroxyphenyl)-6-methyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1R)-1-(3-Hydroxyphenyl)-6-methyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]ethanone [ACD/IUPAC Name]
1-[(1R)-1-(3-Hydroxyphényl)-6-méthyl-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl]éthanone [French] [ACD/IUPAC Name]
3-[(1r)-2-Acetyl-6-Methyl-2,3,4,9-Tetrahydro-1h-β-Carbolin-1-Yl]phenol
Ethanone, 1-[(1R)-1,3,4,9-tetrahydro-1-(3-hydroxyphenyl)-6-methyl-2H-pyrido[3,4-b]indol-2-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 309.4±30.1 °C
Index of Refraction: 1.682
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.35
ACD/KOC (pH 5.5): 1562.59
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.66
ACD/KOC (pH 7.4): 1557.25
Polar Surface Area: 56 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 249.9±3.0 cm3

Click to predict properties on the Chemicalize site


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