Structure Database (LMSD)
Common Name
Cannabidiol
Systematic Name
2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
Synonyms
- CBD
- (-)-Cannabidiol
3D model of Cannabidiol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
QHMBSVQNZZTUGM-ZWKOTPCHSA-N
InChi (Click to copy)
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
SMILES (Click to copy)
[C@H]1(C=C(CC[C@H]1C(=C)C)C)C1C(O)=CC(CCCCC)=CC=1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
2
Aromatic Rings
1
Rotatable Bonds
6
Van der Waals Molecular Volume
340.62
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
5.85
Molar Refractivity
97.04
Admin
Created at
1st Jul 2022
Updated at
1st Jul 2022