ChemSpider 2D Image | 4-[(3S,4R)-4-{4-[2-(2-Chloroethoxy)ethoxy]phenyl}-3-hexanyl]phenol | C22H29ClO3

4-[(3S,4R)-4-{4-[2-(2-Chloroethoxy)ethoxy]phenyl}-3-hexanyl]phenol

  • Molecular FormulaC22H29ClO3
  • Average mass376.917 Da
  • Monoisotopic mass376.180511 Da
  • ChemSpider ID23215407

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(3S,4R)-4-{4-[2-(2-Chlorethoxy)ethoxy]phenyl}-3-hexanyl]phenol [German] [ACD/IUPAC Name]
4-[(3S,4R)-4-{4-[2-(2-Chloroethoxy)ethoxy]phenyl}-3-hexanyl]phenol [ACD/IUPAC Name]
4-[(3S,4R)-4-{4-[2-(2-Chloroéthoxy)éthoxy]phényl}-3-hexanyl]phénol [French] [ACD/IUPAC Name]
4-[(3S,4R)-4-{4-[2-(2-chloroethoxy)ethoxy]phenyl}hexan-3-yl]phenol
Phenol, 4-[(1S,2R)-2-[4-[2-(2-chloroethoxy)ethoxy]phenyl]-1-ethylbutyl]- [ACD/Index Name]
4-(2-{4-[2-(2-Chloro-ethoxy)-ethoxy]-phenyl}-1-ethyl-butyl)-phenol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 253.1±28.7 °C
Index of Refraction: 1.547
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17456.33
ACD/KOC (pH 5.5): 37841.98
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17421.19
ACD/KOC (pH 7.4): 37765.81
Polar Surface Area: 39 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 340.2±3.0 cm3

Click to predict properties on the Chemicalize site


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