ChemSpider 2D Image | 3-(4-Chloro-2-{(2S)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-2-cyclopenten-1-one | C18H24ClNO3

3-(4-Chloro-2-{(2S)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-2-cyclopenten-1-one

  • Molecular FormulaC18H24ClNO3
  • Average mass337.841 Da
  • Monoisotopic mass337.144470 Da
  • ChemSpider ID34983825

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Cyclopenten-1-one, 3-[4-chloro-2-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]- [ACD/Index Name]
3-(4-Chlor-2-{(2S)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
3-(4-Chloro-2-{(2S)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-2-cyclopenten-1-one [ACD/IUPAC Name]
3-(4-Chloro-2-{(2S)-2-hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}phényl)-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
85320-67-8 [RN]
ERICOLOL [INN]
UNII-38R2P4PIEI

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

0112H23PGV [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 496.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.1±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 2.78
ACD/KOC (pH 7.4): 23.11
Polar Surface Area: 59 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 282.4±3.0 cm3

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