ChemSpider 2D Image | 1-(Dimethylamino)-3-({1-[2-(3-methoxyphenyl)ethyl]-2,4-cyclohexadien-1-yl}oxy)-2-propanol | C20H29NO3

1-(Dimethylamino)-3-({1-[2-(3-methoxyphenyl)ethyl]-2,4-cyclohexadien-1-yl}oxy)-2-propanol

  • Molecular FormulaC20H29NO3
  • Average mass331.449 Da
  • Monoisotopic mass331.214752 Da
  • ChemSpider ID26515166

More details:

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

1-(Dimethylamino)-3-({1-[2-(3-methoxyphenyl)ethyl]-2,4-cyclohexadien-1-yl}oxy)-2-propanol [German] [ACD/IUPAC Name]
1-(Dimethylamino)-3-({1-[2-(3-methoxyphenyl)ethyl]-2,4-cyclohexadien-1-yl}oxy)-2-propanol [ACD/IUPAC Name]
1-(Diméthylamino)-3-({1-[2-(3-méthoxyphényl)éthyl]-2,4-cyclohexadién-1-yl}oxy)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(dimethylamino)-3-[[1-[2-(3-methoxyphenyl)ethyl]-2,4-cyclohexadien-1-yl]oxy]- [ACD/Index Name]
1-(2-(3-methoxyphenyl)ethyl)phenoxy-3-(dimethylamino)-2-propanol
127003-40-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 466.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.0±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 98.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 20.74
ACD/KOC (pH 7.4): 148.85
Polar Surface Area: 42 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 303.8±5.0 cm3

Click to predict properties on the Chemicalize site


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