ChemSpider 2D Image | 4-{(2S)-2-Hydroxy-3-[4-(2-methyl-2-propanyl)phenoxy]propoxy}benzoic acid | C20H24O5

4-{(2S)-2-Hydroxy-3-[4-(2-methyl-2-propanyl)phenoxy]propoxy}benzoic acid

  • Molecular FormulaC20H24O5
  • Average mass344.402 Da
  • Monoisotopic mass344.162384 Da
  • ChemSpider ID32809564

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{(2S)-2-Hydroxy-3-[4-(2-methyl-2-propanyl)phenoxy]propoxy}benzoesäure [German] [ACD/IUPAC Name]
4-{(2S)-2-Hydroxy-3-[4-(2-methyl-2-propanyl)phenoxy]propoxy}benzoic acid [ACD/IUPAC Name]
Acide 4-{(2S)-2-hydroxy-3-[4-(2-méthyl-2-propanyl)phénoxy]propoxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2S)-3-[4-(1,1-dimethylethyl)phenoxy]-2-hydroxypropoxy]- [ACD/Index Name]
4-[(2S)-3-(4-TERT-BUTYLPHENOXY)-2-HYDROXYPROPOXY]BENZOIC ACID
56488-59-6 [RN]
terbufibrol [INN]
UNII-W41Z308IA3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 183.4±22.2 °C
Index of Refraction: 1.566
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 155.29
ACD/KOC (pH 5.5): 616.44
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 14.13
Polar Surface Area: 76 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 291.9±3.0 cm3

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