ChemSpider 2D Image | 7-Hydroxy bexarotene | C24H28O3

7-Hydroxy bexarotene

  • Molecular FormulaC24H28O3
  • Average mass364.477 Da
  • Monoisotopic mass364.203857 Da
  • ChemSpider ID29790099

More details:






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

368451-10-9 [RN]
4-[1-(7-Hydroxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)vinyl]benzoic acid [ACD/IUPAC Name]
4-[1-(7-Hydroxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalinyl)vinyl]benzoesäure [German] [ACD/IUPAC Name]
7-Hydroxy bexarotene
Acide 4-[1-(7-hydroxy-3,5,5,8,8-pentaméthyl-5,6,7,8-tétrahydro-2-naphtalényl)vinyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-(5,6,7,8-tetrahydro-7-hydroxy-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]- [ACD/Index Name]
20780-54-5 [RN]
4-[1-(5,6,7,8-Tetrahydro-7-hydroxy-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic acid
4-[1-(7-Hydroxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid
4-[1-(7-hydroxy-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 527.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 287.0±26.6 °C
Index of Refraction: 1.572
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 1765.49
ACD/KOC (pH 5.5): 2867.14
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 56.74
ACD/KOC (pH 7.4): 92.15
Polar Surface Area: 58 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 331.3±3.0 cm3

Click to predict properties on the Chemicalize site






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