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Search term: VAVQANAFORJBCW-OAHLLOKOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4,4'-{[(3S)-3-(2-Hydroxyethyl)cyclohexylidene]methylene}diphenol | C21H24O3

4,4'-{[(3S)-3-(2-Hydroxyethyl)cyclohexylidene]methylene}diphenol

  • Molecular FormulaC21H24O3
  • Average mass324.414 Da
  • Monoisotopic mass324.172546 Da
  • ChemSpider ID59052849

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4,4'-{[(3S)-3-(2-Hydroxyethyl)cyclohexyliden]methylen}diphenol [German] [ACD/IUPAC Name]
4,4'-{[(3s)-3-(2-Hydroxyethyl)cyclohexylidene]methanediyl}diphenol
4,4'-{[(3S)-3-(2-Hydroxyethyl)cyclohexylidene]methylene}diphenol [ACD/IUPAC Name]
4,4'-{[(3S)-3-(2-Hydroxyéthyl)cyclohexylidène]méthylène}diphénol [French] [ACD/IUPAC Name]
Phenol, 4,4'-[[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methylene]bis- [ACD/Index Name]
5KF

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 242.7±19.2 °C
Index of Refraction: 1.622
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1253.10
ACD/KOC (pH 5.5): 5742.90
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1248.54
ACD/KOC (pH 7.4): 5722.02
Polar Surface Area: 61 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 272.6±3.0 cm3

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