Tetrahydrocannabinol
Properties
- Molecular formula
- C21H30O2
- Molar mass
- 314.47 g/mol
- Exact mass
- 314.2246 Da
- Melting point
- 200 °C
- pKa
- 10.6
- Water solubility
- 2.8 mg/L (23 °C)
- logP
- 5.74Crippen estimate
- Polar surface area
- 29.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 4
- Stereocentres
- R, Rin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H361 Suspected of damaging fertility or the unborn child90.2% of notifiers
- H413 May cause long lasting harmful effects to aquatic life43.5% of notifiers
Aggregated from 92 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P264, P270, P273, P280, P301+P317, P318, P330, P405, P501
Identifiers
CAS number
1972-08-3SMILES
CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)OInChIKey
CYQFCXCEBYINGO-IAGOWNOFSA-NInChI
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
16 names · show all
- (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
- Dronabinol
- Marinol
- Delta9-Tetrahydrocannabinol
- Delta9-THC
- Delta-9-tetrahydrocannabinol
- Abbott 40566
- Delta1-THC
- Delta-9-THC
- Delta1-Tetrahydrocannabinol
- Dronabinolum
- Delta(9)-THC
- Delta(1)-Tetrahydrocannabinol
- Delta(9)-Tetrahydrocannabinol
- 1-trans-Delta-9-Tetrahydrocannabinol
- Syndros
Work with Tetrahydrocannabinol
Similar compounds
Olivetol500-66-332 % similar
Gingerol23513-14-632 % similar
(8)-Gingerol23513-08-831 % similar
(10)-Gingerol23513-15-731 % similar
Paradol27113-22-031 % similar
(6)-Shogaol555-66-831 % similar
[8]-Shogaol36700-45-530 % similar
[10]-Shogaol36752-54-230 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.