cannabidiol
C₂₁H₃₀O₂·314.500 g/mol·CID 644019
IUPAC: 2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Also known as: 13956-29-1, (-)-Cannabidiol, (-)-trans-Cannabidiol, Epidiolex, delta1(2)-trans-Cannabidiol (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
314.500g/mol
Exact Mass
314.224580Da
Monoisotopic Mass
314.224580Da
XLogP
6.5
Polar Surface Area
40.5Ų
Complexity
414
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
2
Rotatable Bonds
6
Heavy Atoms
23
Stereo Centers
2
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 314.5 g/mol
MW ≤ 500
✗ 6.5
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH332Harmful if inhaledH361Suspected of damaging fertility or the unborn child
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
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