ChemSpider 2D Image | 2-[(2S,3R)-3-(3-Hydroxyphenyl)-2,3-dimethyl-1-piperidinyl]-1-phenylethanone | C21H25NO2

2-[(2S,3R)-3-(3-Hydroxyphenyl)-2,3-dimethyl-1-piperidinyl]-1-phenylethanone

  • Molecular FormulaC21H25NO2
  • Average mass323.429 Da
  • Monoisotopic mass323.188538 Da
  • ChemSpider ID34992368

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(2S,3R)-3-(3-Hydroxyphenyl)-2,3-dimethyl-1-piperidinyl]-1-phenylethanon [German] [ACD/IUPAC Name]
2-[(2S,3R)-3-(3-Hydroxyphenyl)-2,3-dimethyl-1-piperidinyl]-1-phenylethanone [ACD/IUPAC Name]
2-[(2S,3R)-3-(3-Hydroxyphényl)-2,3-diméthyl-1-pipéridinyl]-1-phényléthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(2S,3R)-3-(3-hydroxyphenyl)-2,3-dimethyl-1-piperidinyl]-1-phenyl- [ACD/Index Name]
4575-34-2 [RN]
myfadol [INN]
UNII-MON17C96OK

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

Density: 1.1±0.1 g/cm3
Boiling Point: 485.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 247.7±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 3.16
ACD/KOC (pH 5.5): 16.75
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 160.79
ACD/KOC (pH 7.4): 851.33
Polar Surface Area: 41 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 295.5±3.0 cm3

Click to predict properties on the Chemicalize site


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