ChemSpider 2D Image | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol | C18H19NO3

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

  • Molecular FormulaC18H19NO3
  • Average mass297.348 Da
  • Monoisotopic mass297.136505 Da
  • ChemSpider ID24694529

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2,4-Dihydroxyphenyl)[(2R)-2-(2-methylphenyl)-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
(2,4-Dihydroxyphenyl)[(2R)-2-(2-methylphenyl)-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
(2,4-Dihydroxyphényl)[(2R)-2-(2-méthylphényl)-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
Methanone, (2,4-dihydroxyphenyl)[(2R)-2-(2-methylphenyl)-1-pyrrolidinyl]- [ACD/Index Name]
4-[(2R)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]benzene-1,3-diol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470365/
PY9

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.6±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 271.1±27.1 °C
Index of Refraction: 1.643
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 224.46
ACD/KOC (pH 5.5): 1674.74
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 162.17
ACD/KOC (pH 7.4): 1209.98
Polar Surface Area: 61 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 234.1±3.0 cm3

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