ChemSpider 2D Image | 4,4'-{8-[(2-Hydroxyethyl)sulfanyl]-3-methyl-3,4-octanediyl}diphenol | C23H32O3S

4,4'-{8-[(2-Hydroxyethyl)sulfanyl]-3-methyl-3,4-octanediyl}diphenol

  • Molecular FormulaC23H32O3S
  • Average mass388.563 Da
  • Monoisotopic mass388.207214 Da
  • ChemSpider ID23134671

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4,4'-{8-[(2-Hydroxyethyl)sulfanyl]-3-methyl-3,4-octandiyl}diphenol [German] [ACD/IUPAC Name]
4,4'-{8-[(2-Hydroxyethyl)sulfanyl]-3-methyl-3,4-octanediyl}diphenol [ACD/IUPAC Name]
4,4'-{8-[(2-Hydroxyéthyl)sulfanyl]-3-méthyl-3,4-octanediyl}diphénol [French] [ACD/IUPAC Name]
4,4'-{8-[(2-hydroxyethyl)sulfanyl]-3-methyloctane-3,4-diyl}diphenol
Phenol, 4,4'-[1-ethyl-2-[4-[(2-hydroxyethyl)thio]butyl]-1-methyl-1,2-ethanediyl]bis- [ACD/Index Name]
Erythro-5,6-bis(4-hydroxyphenyl)octyl 2-hydroxyethyl Thioether
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL289652/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 578.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 280.2±28.8 °C
Index of Refraction: 1.588
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7444.28
ACD/KOC (pH 5.5): 20560.56
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7413.27
ACD/KOC (pH 7.4): 20474.94
Polar Surface Area: 86 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 341.5±3.0 cm3

Click to predict properties on the Chemicalize site


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