ChemSpider 2D Image | 4-[(2S,3R)-2-Ethyl-1-hydroxy-3-(4-hydroxy-3-methoxybenzyl)pentyl]-2-methoxyphenol | C22H30O5

4-[(2S,3R)-2-Ethyl-1-hydroxy-3-(4-hydroxy-3-methoxybenzyl)pentyl]-2-methoxyphenol

  • Molecular FormulaC22H30O5
  • Average mass374.471 Da
  • Monoisotopic mass374.209320 Da
  • ChemSpider ID59696175

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

4-[(2S,3R)-2-Ethyl-1-hydroxy-3-(4-hydroxy-3-methoxybenzyl)pentyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(2S,3R)-2-Ethyl-1-hydroxy-3-(4-hydroxy-3-methoxybenzyl)pentyl]-2-methoxyphenol [ACD/IUPAC Name]
4-[(2S,3R)-2-Éthyl-1-hydroxy-3-(4-hydroxy-3-méthoxybenzyl)pentyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
Benzenebutanol, β,γ-diethyl-4-hydroxy-α-(4-hydroxy-3-methoxyphenyl)-3-methoxy-, (βS,γR)- [ACD/Index Name]
4-[(2S,3R)-2-ethyl-1-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]pentyl]-2-methoxyphenol
7-hydroxysecoisolariciresinol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.1±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 261.95
ACD/KOC (pH 5.5): 1873.12
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.01
ACD/KOC (pH 7.4): 1866.33
Polar Surface Area: 79 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 325.9±3.0 cm3

Click to predict properties on the Chemicalize site


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