ChemSpider 2D Image | 4-[4-Hydroxy-3-(3-hydroxybenzyl)-2-(hydroxymethyl)butyl]-1,2-benzenediol | C18H22O5

4-[4-Hydroxy-3-(3-hydroxybenzyl)-2-(hydroxymethyl)butyl]-1,2-benzenediol

  • Molecular FormulaC18H22O5
  • Average mass318.364 Da
  • Monoisotopic mass318.146729 Da
  • ChemSpider ID35015218

More details:

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

1,2-Benzenediol, 4-[4-hydroxy-2-(hydroxymethyl)-3-[(3-hydroxyphenyl)methyl]butyl]- [ACD/Index Name]
4-[4-Hydroxy-3-(3-hydroxybenzyl)-2-(hydroxymethyl)butyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[4-Hydroxy-3-(3-hydroxybenzyl)-2-(hydroxyméthyl)butyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[4-Hydroxy-3-(3-hydroxybenzyl)-2-(hydroxymethyl)butyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
4-[4-hydroxy-2-(hydroxymethyl)-3-[(3-hydroxyphenyl)methyl]butyl]benzene-1,2-diol
4-Hydroxyenterodiol

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 288.3±26.1 °C
Index of Refraction: 1.649
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.46
ACD/KOC (pH 5.5): 146.71
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.40
ACD/KOC (pH 7.4): 145.39
Polar Surface Area: 101 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 240.0±3.0 cm3

Click to predict properties on the Chemicalize site


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