ChemSpider 2D Image | Etalocib | C33H33FO6

Etalocib

  • Molecular FormulaC33H33FO6
  • Average mass544.610 Da
  • Monoisotopic mass544.226135 Da
  • ChemSpider ID154905

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

161172-51-6 [RN]
2-(3-{3-[(5-Ethyl-4'-fluor-2-hydroxy-4-biphenylyl)oxy]propoxy}-2-propylphenoxy)benzoesäure [German] [ACD/IUPAC Name]
2-(3-{3-[(5-Ethyl-4'-fluoro-2-hydroxy-4-biphenylyl)oxy]propoxy}-2-propylphenoxy)benzoic acid [ACD/IUPAC Name]
2-(3-{3-[(5-ethyl-4'-fluoro-2-hydroxybiphenyl-4-yl)oxy]propoxy}-2-propylphenoxy)benzoic acid
Acide 2-(3-{3-[(5-éthyl-4'-fluoro-2-hydroxy-4-biphénylyl)oxy]propoxy}-2-propylphénoxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[3-[3-[(5-ethyl-4'-fluoro-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]- [ACD/Index Name]
Etalocib [USAN] [Wiki]
LY-193111
LY293111
2-(3-(3-((5-Ethyl-4'-fluoro-2-hydroxybiphenyl-4-yl)oxy)propoxy)-2-propylphenoxy)benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LY 293111 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 656.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 351.0±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 152.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 1885.79
ACD/KOC (pH 5.5): 1900.72
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 202.99
ACD/KOC (pH 7.4): 204.60
Polar Surface Area: 85 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 448.0±3.0 cm3

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