ChemSpider 2D Image | (1S,2S,3R)-1-Ethyl-2-(4-hydroxyphenyl)-3-methyl-5-indanol | C18H20O2

(1S,2S,3R)-1-Ethyl-2-(4-hydroxyphenyl)-3-methyl-5-indanol

  • Molecular FormulaC18H20O2
  • Average mass268.350 Da
  • Monoisotopic mass268.146332 Da
  • ChemSpider ID23164607
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S,2S,3R)-1-ethyl-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1H-inden-5-ol
(1S,2S,3R)-1-Ethyl-2-(4-hydroxyphenyl)-3-methyl-5-indanol [German] [ACD/IUPAC Name]
(1S,2S,3R)-1-Ethyl-2-(4-hydroxyphenyl)-3-methyl-5-indanol [ACD/IUPAC Name]
(1S,2S,3R)-1-Éthyl-2-(4-hydroxyphényl)-3-méthyl-5-indanol [French] [ACD/IUPAC Name]
1H-Inden-5-ol, 1-ethyl-2,3-dihydro-2-(4-hydroxyphenyl)-3-methyl-, (1S,2S,3R)- [ACD/Index Name]
(1S,2S,3R)-1-Ethyl-2-(4-hydroxy-phenyl)-3-methyl-indan-5-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 411.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 191.0±23.3 °C
Index of Refraction: 1.596
Molar Refractivity: 80.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1492.85
ACD/KOC (pH 5.5): 6509.60
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1488.25
ACD/KOC (pH 7.4): 6489.55
Polar Surface Area: 40 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 237.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement