ChemSpider 2D Image | 4-[(1R)-1-Hydroxy-2-{[1-(4-hydroxyphenyl)-2-methyl-2-propanyl]amino}ethyl]-1,2-benzenediol | C18H23NO4

4-[(1R)-1-Hydroxy-2-{[1-(4-hydroxyphenyl)-2-methyl-2-propanyl]amino}ethyl]-1,2-benzenediol

  • Molecular FormulaC18H23NO4
  • Average mass317.379 Da
  • Monoisotopic mass317.162720 Da
  • ChemSpider ID25035600

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-[[2-(4-hydroxyphenyl)-1,1-dimethylethyl]amino]ethyl]- [ACD/Index Name]
4-[(1R)-1-Hydroxy-2-{[1-(4-hydroxyphenyl)-2-methyl-2-propanyl]amino}ethyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(1R)-1-Hydroxy-2-{[1-(4-hydroxyphényl)-2-méthyl-2-propanyl]amino}éthyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(1R)-1-Hydroxy-2-{[1-(4-hydroxyphenyl)-2-methyl-2-propanyl]amino}ethyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
4-[(1r)-1-Hydroxy-2-{[1-(4-Hydroxyphenyl)-2-Methylpropan-2-Yl]amino}ethyl]benzene-1,2-Diol
XQC

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 187.1±19.3 °C
Index of Refraction: 1.631
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.96
Polar Surface Area: 93 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 251.4±3.0 cm3

Click to predict properties on the Chemicalize site


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