5-ethyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol
PubChem CID: 129210056
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| Compound Synonyms | 2552798-14-6, 5-ethyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol, CHEMBL5184521, 5-ethyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol, CBDE, Cannabidiol ethyl, SCHEMBL18945322, DTXSID001038278, BDBM50587997 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 5-ethyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C18H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YURJBXYTSFIOOT-LSDHHAIUSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -3.233 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.081 |
| Compound Name | 5-ethyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 272.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 272.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6398056 |
| Inchi | InChI=1S/C18H24O2/c1-5-13-9-16(19)18(17(20)10-13)15-8-12(4)6-7-14(15)11(2)3/h8-10,14-15,19-20H,2,5-7H2,1,3-4H3/t14-,15+/m0/s1 |
| Smiles | CCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients