1,3-Benzenediol,5-methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- supplier

Name
5-METHYL-2-[(1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL]-1,3-BENZENEDIOL
EINECS
CAS No. 35482-50-9
Article Data3
CAS DataBase
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 1,3-Benzenediol,5-methyl-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-, (1R-trans)-;Cannabidiorcol;Cannabidiorocol;O 1821;
PSA 40.46000
LogP 4.42220

1,3-Benzenediol,5-methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- Specification

This chemical is called 1,3-Benzenediol,5-methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-, and its systematic name is 4-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-methyl-benzene-1,3-diol. With the molecular formula of C₁₇H₂₂O₂, its molecular weight is 258.36. The CAS registry number of this chemical is 35482-50-9.

Other characteristics of the 1,3-Benzenediol,5-methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- can be summarised as followings: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.91; (4)ACD/LogD (pH 7.4): 4.91; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 40.46 Å²; (9)Index of Refraction: 1.565; (10)Molar Refractivity: 78.38 cm³; (11)Molar Volume: 240.5 cm³; (12)Polarizability: 31.07×10^-24cm³; (13)Surface Tension: 40.9 dyne/cm; (14)Density: 1.073 g/cm³; (15)Flash Point: 185.2 °C; (16)Enthalpy of Vaporization: 67.81 kJ/mol; (17)Boiling Point: 401.6 °C at 760 mmHg; (18)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

Product Name

5-METHYL-2-[(1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL]-1,3-BENZENEDIOL

1,3-Benzenediol,5-methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- Specification

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