ChemSpider 2D Image | 1-{3-[(2-Cyclohexylphenoxy)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid | C32H34N2O4

1-{3-[(2-Cyclohexylphenoxy)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid

  • Molecular FormulaC32H34N2O4
  • Average mass510.623 Da
  • Monoisotopic mass510.251862 Da
  • ChemSpider ID2995278

More details:






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

1-{3-[(2-Cyclohexylphenoxy)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-β-carbolin-3-carbonsäure [German] [ACD/IUPAC Name]
1-{3-[(2-Cyclohexylphenoxy)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[3-[(2-cyclohexylphenoxy)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro- [ACD/Index Name]
Acide 1-{3-[(2-cyclohexylphénoxy)méthyl]-4-méthoxyphényl}-2,3,4,9-tétrahydro-1H-β-carboline-3-carboxylique [French] [ACD/IUPAC Name]
1-(3-((2-cyclohexylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1-[3-[(2-cyclohexylphenoxy)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1-{3-[(2-cyclohexylphenoxy)methyl]-4-methoxyphenyl}-1,2,3,4-tetrahydrobeta-carboline-3-carboxylic acid
1024019-87-1 [RN]
c32h34n2o4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.9±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 148.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 54.63
ACD/KOC (pH 5.5): 118.78
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 54.35
ACD/KOC (pH 7.4): 118.18
Polar Surface Area: 84 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 411.1±3.0 cm3

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