HuagongsheHuagongshe Chemistry Print Report · For research reference only
1H-4-Oxabenzo(f)cyclobut(cd)inden-8-ol, 1a-alpha,2,3,3a,8b-alpha,8c-alpha-hexahydro-1,1,3a-trimethyl-6-pentyl-
Cannabipinol · cannabicyclol · Cannabicyclol (CBL) 100 μg/mL in Methanol · Cannabicyclol (CBL) 1000 μg/mL in Methanol · Cannabicyclol (CBL) 100 μg/mL in Acetonitrile · Cannabicyclol (CBL) 1000 μg/mL in Acetonitrile · (1aR)-1a,2,3,3a,8bβ,8cβ-Hexahydro-1,1,3aβ-trimethyl-6-pentyl-1H-4-oxa-benzo[f]cyclobut[cd]inden-8-ol · 1H-4-Oxabenzo[f]cyclobut[cd]inden-8-ol, 1a,2,3,3a,8b,8c-hexahydro-1,1,3a-trimethyl-6-pentyl-, (1aS,3aR,8bR,8cR)-
Identifiers & Physical Properties
| CAS No. | 21366-63-2 |
|---|---|
| Molecular formula | C21H30O2 |
| Average molar mass | 314.5 g/mol |
| Monoisotopic mass | 314.2245802 g/mol |
| SMILES | CCCCCc1cc(O)c2c(c1)OC1(C)CCC3C1C2C3(C)C |
| InChIKey | IGHTZQUIFGUJTG-UHFFFAOYSA-N |
| PubChem CID | 30607 |
| ChEMBL | CHEMBL154127 |
| DTXSID | DTXSID301356075 |
Chemical & Physical Properties
| XLogP | 6 |
|---|---|
| Topological polar surface area | 29.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 459 |
| Melting point | 145-146 °C |
| Boiling point | 382.1±31.0 °C(Predicted) |
| Density | 1.068±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 9.94±0.60(Predicted) |
| FDA UNII | MP5WZK8M5U |