ChemSpider 2D Image | O-1602 | C17H22O2

O-1602

  • Molecular FormulaC17H22O2
  • Average mass258.355 Da
  • Monoisotopic mass258.161987 Da
  • ChemSpider ID23014383
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,3-Benzenediol, 5-methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- [ACD/Index Name]
4-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-methyl-1,3-benzenediol [ACD/IUPAC Name]
4-[(1R,6R)-6-Isopropényl-3-méthyl-2-cyclohexén-1-yl]-5-méthyl-1,3-benzènediol [French] [ACD/IUPAC Name]
4-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-methyl-1,3-benzoldiol [German] [ACD/IUPAC Name]
5-Methyl-4-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]benzene-1,3-diol
O-1602 [Wiki]
(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-2,4-diol
[317321-41-8]
1884645-10-6 [RN]
317321-41-8 [RN]
More...

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

UN1231 [DBID]
UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 2797
      Analog of cannabidiol that is a potent agonist at the GPR55 cannabinoid receptor (EC50 values are 13, > 30000 and > 30000 nM for GPR55, CB1 and CB2 receptors respectively). Induces activation of RhoA, cdc42 and rac1. Tocris Bioscience 2797
      Analog of cannabidiol that is a potent agonist at the GPR55 cannabinoid receptor (EC50 values are 13, > 30000 and > 30000 nM for GPR55, CB1 and CB2 receptors respectively). Induces activation of RhoA, cdc42 and rac1. Tocris Bioscience 2797
      Cannabinoid Receptors Tocris Bioscience 2797
      GPR55 Tocris Bioscience 2797
      Potent GPR55 receptor agonist Tocris Bioscience 2797

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

Density: 1.1±0.1 g/cm3
Boiling Point: 401.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 185.2±23.3 °C
Index of Refraction: 1.565
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1784.74
ACD/KOC (pH 5.5): 7397.19
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1775.63
ACD/KOC (pH 7.4): 7359.43
Polar Surface Area: 40 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 240.6±3.0 cm3

Click to predict properties on the Chemicalize site





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