-
Name
5-METHYL-4-[(1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL]-1,3-BENZENEDIOL
- EINECS
- CAS No. 317321-41-8
- Density 1.073 g/cm3
- Solubility
- Melting Point
- Formula C17H22O2
- Boiling Point 401.6 °C at 760 mmHg
- Molecular Weight 258.36
- Flash Point 185.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms O 1602;
- PSA 40.46000
- LogP 4.42220
1,3-Benzenediol,5-methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- Specification
The 1,3-Benzenediol,5-methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-, with the CAS registry number 317321-41-8, is also known as 5-Methyl-4-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]benzene-1,3-diol. It belongs to the product category of Cannabinoid Receptor. This chemical's molecular formula is C17H22O2 and molecular weight is 258.36. Its systematic name is called 4-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-methyl-benzene-1,3-diol.
Physical properties of 1,3-Benzenediol,5-methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-: (1)ACD/LogP: 4.91; (2)ACD/LogD (pH 5.5): 4.91; (3)ACD/LogD (pH 7.4): 4.91; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 4; (7)Index of Refraction: 1.565; (8)Molar Refractivity: 78.38 cm3; (9)Molar Volume: 240.5 cm3; (10)Surface Tension: 40.9 dyne/cm; (11)Density: 1.073 g/cm3; (12)Flash Point: 185.2 °C; (13)Enthalpy of Vaporization: 67.81 kJ/mol; (14)Boiling Point: 401.6 °C at 760 mmHg; (15)Vapour Pressure: 5.02E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc(c1C2C=C(CCC2C(=C)C)C)O)O
(2)InChI: InChI=1/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1
(3)InChIKey: KDZOUSULXZNDJH-LSDHHAIUBN
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