ChemSpider 2D Image | 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol | C18H18ClNO3

4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol

  • Molecular FormulaC18H18ClNO3
  • Average mass331.793 Da
  • Monoisotopic mass331.097534 Da
  • ChemSpider ID24631184

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5-Chlor-2,4-dihydroxyphenyl)[(2R)-2-(2-methylphenyl)-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
(5-Chloro-2,4-dihydroxyphenyl)[(2R)-2-(2-methylphenyl)-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
(5-Chloro-2,4-dihydroxyphényl)[(2R)-2-(2-méthylphényl)-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
Methanone, (5-chloro-2,4-dihydroxyphenyl)[(2R)-2-(2-methylphenyl)-1-pyrrolidinyl]- [ACD/Index Name]
4CD

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.1±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 284.7±29.8 °C
Index of Refraction: 1.649
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 812.88
ACD/KOC (pH 5.5): 4139.15
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 134.07
ACD/KOC (pH 7.4): 682.70
Polar Surface Area: 61 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 246.1±3.0 cm3

Click to predict properties on the Chemicalize site


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