(+)-(6S)-hydroxymenthol
PubChem CID: 102249594
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| Compound Synonyms | (+)-(6s)-hydroxymenthol, (1S,2R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol, CHEMBL4216770, CHEBI:204043 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TXISQGBRDPUIBI-IMSYWVGJSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.271 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.649 |
| Compound Name | (+)-(6S)-hydroxymenthol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0138616000000003 |
| Inchi | InChI=1S/C10H20O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-12H,4-5H2,1-3H3/t7-,8-,9+,10+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H]([C@H](C[C@@H]1O)C(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Sieversiana (Plant) Rel Props:Source_db:cmaup_ingredients