ChemSpider 2D Image | 2-(1-Adamantyl)-4-Methylphenol | C17H22O

2-(1-Adamantyl)-4-Methylphenol

  • Molecular FormulaC17H22O
  • Average mass242.356 Da
  • Monoisotopic mass242.167068 Da
  • ChemSpider ID21170924

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-(1-Adamantyl)-4-Methylphenol
2-[(3s,5s,7s)-Adamantan-1-yl]-4-methylphenol [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]-4-methylphenol [German] [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]-4-méthylphénol [French] [ACD/IUPAC Name]
Phenol, 4-methyl-2-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
2-(1-adamantyl)-4-methyl-phenol

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

MFCD00168147 [DBID]
394688_ALDRICH [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 359.9±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 169.5±10.6 °C
Index of Refraction: 1.604
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2580.84
ACD/KOC (pH 5.5): 9632.37
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2578.49
ACD/KOC (pH 7.4): 9623.57
Polar Surface Area: 20 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 213.1±3.0 cm3

Click to predict properties on the Chemicalize site


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