ChemSpider 2D Image | 1-[4-(tert-Butyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-diol | C20H26O3

1-[4-(tert-Butyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-diol

  • Molecular FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID28289933

More details:






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

1-(4-Methoxyphenyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1,3-propandiol [German] [ACD/IUPAC Name]
1-(4-Méthoxyphényl)-3-[4-(2-méthyl-2-propanyl)phényl]-1,3-propanediol [French] [ACD/IUPAC Name]
1,3-Propanediol, 1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)- [ACD/Index Name]
1-[4-(1,1-Dimethylethyl)phenyl]-3-(4-methoxyphenyl)-1,3-propanediol
1-[4-(tert-Butyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-diol [ACD/IUPAC Name]
12091724 [Beilstein]
1X1&1&R DYQ1YQR DO1 [WLN]
955359-35-0 [RN]
1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)-1,3-propanedione
1-(4-Methoxyphenyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1,3-propanediol
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-23790]
    • Safety:

      20/21/22 Novochemy [NC-23790]
      20/21/36/37/39 Novochemy [NC-23790]
      GHS07; GHS09 Novochemy [NC-23790]
      H304; H332 Novochemy [NC-23790]
      IRRITANT Matrix Scientific 090727
      P301+P310; P337+P313 Novochemy [NC-23790]
      R22 Novochemy [NC-23790]
      Warning Novochemy [NC-23790]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 475.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.4±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 353.85
ACD/KOC (pH 5.5): 2323.02
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 353.85
ACD/KOC (pH 7.4): 2323.02
Polar Surface Area: 50 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 286.7±3.0 cm3

Click to predict properties on the Chemicalize site






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