ChemSpider 2D Image | 2-[(2-Chloro-3,4-dimethoxyphenyl)(hydroxy)methyl]hexanoic acid | C15H21ClO5

2-[(2-Chloro-3,4-dimethoxyphenyl)(hydroxy)methyl]hexanoic acid

  • Molecular FormulaC15H21ClO5
  • Average mass316.777 Da
  • Monoisotopic mass316.107758 Da
  • ChemSpider ID35614165

More details:

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

2-[(2-Chlor-3,4-dimethoxyphenyl)(hydroxy)methyl]hexansäure [German] [ACD/IUPAC Name]
2-[(2-Chloro-3,4-dimethoxyphenyl)(hydroxy)methyl]hexanoic acid [ACD/IUPAC Name]
Acide 2-[(2-chloro-3,4-diméthoxyphényl)(hydroxy)méthyl]hexanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-butyl-2-chloro-β-hydroxy-3,4-dimethoxy- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 229.4±28.7 °C
Index of Refraction: 1.535
Molar Refractivity: 80.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 26.42
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 258.0±3.0 cm3

Click to predict properties on the Chemicalize site


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