chempirical

Cannabidiol

C21H30O2CAS 13956-29-1314.47 g/mol

Open in Covalent MOL file
OHOH
AlkenePhenol

Properties

Molecular formula
C21H30O2
Molar mass
314.47 g/mol
Exact mass
314.2246 Da
Melting point
67 °C
Boiling point
188.5 °C
logP
5.85Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
13956-29-1
SMILES
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O
InChIKey
QHMBSVQNZZTUGM-ZWKOTPCHSA-N
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1,3-Benzenediol, 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-
  • Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, trans-(-)-
  • 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-
  • 2-[(1R,6R)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
  • (-)-trans-Cannabidiol
  • (-)-Cannabidiol
  • δ1(2)-trans-Cannabidiol
  • CBD
  • (-)-CBD
  • Epidiolex
  • GWP 42003P
  • Epidyolex

Work with Cannabidiol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Olivetol500-66-335 % similar 4-Pentylphenol14938-35-331 % similar 1-Nonyl-4-phenol104-40-530 % similar 4-N-Octylphenol1806-26-430 % similar 4-N-Heptylphenol1987-50-430 % similar Olivetolic acid491-72-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

16-Dehydropregnenolone1162-53-4 17-Acetoxy-5α-androsta-2,16-diene50588-42-6 Progesterone57-83-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook