Rengyol
PubChem CID: 363707
Connections displayed (default: 10).
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| Compound Synonyms | Rengyol, Forsythinol, 93675-85-5, isorengyol, 1-(2-hydroxyethyl)cyclohexane-1,4-diol, 101489-38-7, NSC628867, CHEBI:81160, Trans-1-(2-Hydroxyethyl)-1,4-cyclohexanediol, Cis-1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 1823328-36-4, 1-(2-Hydroxyethyl)-1,4-cyclohexanediol, SCHEMBL3899125, 1,1-(2-hydroxyethyl)-, cis, CHEMBL2003988, SCHEMBL13619428, BEA48938, HY-N1523, SID494260, AKOS032948445, AKOS040762279, FF65795, FS-9174, NSC-628867, NCI60_009336, CS-0017066, 1,4-Cyclohexanediol,1-(2-hydroxyethyl)-, cis, C17527, F92736, Rengyol, 1-(2-Hydroxyethyl)-1,4-cyclohexanediol, Q27155115 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-hydroxyethyl)cyclohexane-1,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C8H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TWORTZAXDSRCIT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.408 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.052 |
| Compound Name | Rengyol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 160.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 160.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8462205999999998 |
| Inchi | InChI=1S/C8H16O3/c9-6-5-8(11)3-1-7(10)2-4-8/h7,9-11H,1-6H2 |
| Smiles | C1CC(CCC1O)(CCO)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Serbica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Alluaudia Ascendens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Centaurea Collina (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Echinocereus Blanckii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Euonymus Nanus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Forsythia Suspensa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Marrubium Peregrinum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Millingtonia Hortensis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Oroxylum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Physostigma Venenosum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Rabdosia Weisiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Sinapis Nigra (Plant) Rel Props:Source_db:cmaup_ingredients