ChemSpider 2D Image | 4-[(2S,3S,4R)-3-Ethyl-4-(4-hydroxyphenyl)-2-hexanyl]phenol | C20H26O2

4-[(2S,3S,4R)-3-Ethyl-4-(4-hydroxyphenyl)-2-hexanyl]phenol

  • Molecular FormulaC20H26O2
  • Average mass298.419 Da
  • Monoisotopic mass298.193268 Da
  • ChemSpider ID34989013

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-[(2S,3S,4R)-3-Ethyl-4-(4-hydroxyphenyl)-2-hexanyl]phenol [German] [ACD/IUPAC Name]
4-[(2S,3S,4R)-3-Ethyl-4-(4-hydroxyphenyl)-2-hexanyl]phenol [ACD/IUPAC Name]
4-[(2S,3S,4R)-3-Éthyl-4-(4-hydroxyphényl)-2-hexanyl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-[(1R,2S,3S)-1,2-diethyl-3-(4-hydroxyphenyl)butyl]- [ACD/Index Name]
85-95-0 [RN]
benzestrol [INN]
UNII-A27512LR47

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

Density: 1.1±0.1 g/cm3
Boiling Point: 431.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 192.8±17.8 °C
Index of Refraction: 1.568
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4253.97
ACD/KOC (pH 5.5): 13774.59
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4237.79
ACD/KOC (pH 7.4): 13722.18
Polar Surface Area: 40 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 280.7±3.0 cm3

Click to predict properties on the Chemicalize site


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