ChemSpider 2D Image | 1-{2-[4-(7-Methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl}pyrrolidinium | C30H36NO3

1-{2-[4-(7-Methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl}pyrrolidinium

  • Molecular FormulaC30H36NO3
  • Average mass458.611 Da
  • Monoisotopic mass458.268982 Da
  • ChemSpider ID21201234

  • Charge - Charge

More details:

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

1-{2-[4-(7-Methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl}pyrrolidinium [ACD/IUPAC Name]
1-{2-[4-(7-Methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl}pyrrolidinium [German] [ACD/IUPAC Name]
1-{2-[4-(7-Méthoxy-2,2-diméthyl-3-phényl-3,4-dihydro-2H-chromén-4-yl)phénoxy]éthyl}pyrrolidinium [French] [ACD/IUPAC Name]
Pyrrolidinium, 1-[2-[4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]ethyl]- [ACD/Index Name]

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

Density:
Boiling Point: 556.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 145.6±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 49.48
ACD/KOC (pH 5.5): 76.71
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 390.81
ACD/KOC (pH 7.4): 605.90
Polar Surface Area: 32 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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