Bicyclo[2.2.2]octan-1-ol, 4-phenyl-
PubChem CID: 327096
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| Compound Synonyms | Bicyclo[2.2.2]octan-1-ol, 4-phenyl-, 4-Phenylbicyclo[2.2.2]octan-1-ol, 2001-62-9, 1-Hydroxy-4-phenylbicyclo[2.2.2]octane, NSC300597, Bicyclo[2.2.2]octan-1-ol,4-phenyl-, DTXSID20316190, KKATZNUAUKDUIL-UHFFFAOYSA-N, 4-Phenyl-bicyclo[2.2.2]octan-1-ol, NSC-300597, 4-Phenylbicyclo[2.2.2]octan-1-ol #, DS-010521 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-phenylbicyclo[2.2.2]octan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | KKATZNUAUKDUIL-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -2.886 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.459 |
| Compound Name | Bicyclo[2.2.2]octan-1-ol, 4-phenyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 202.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 202.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1323413999999996 |
| Inchi | InChI=1S/C14H18O/c15-14-9-6-13(7-10-14,8-11-14)12-4-2-1-3-5-12/h1-5,15H,6-11H2 |
| Smiles | C1CC2(CCC1(CC2)C3=CC=CC=C3)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients