2-Adamantanol, 4-bromo-
PubChem CID: 583676
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| Compound Synonyms | 2-Adamantanol, 4-bromo-, 4-Bromo-2-adamantanol #, UZFHAWHYOKNKPK-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1C2CC3CC1CC(C2)C3 |
| Deep Smiles | OCCCCCC6CCC8)C6))Br |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1C2CC3CC1CC(C2)C3 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-bromoadamantan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H15BrO |
| Scaffold Graph Node Bond Level | C1C2CC3CC1CC(C2)C3 |
| Inchi Key | UZFHAWHYOKNKPK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 4-bromo-2-adamantanol |
| Esol Class | Soluble |
| Functional Groups | CBr, CO |
| Compound Name | 2-Adamantanol, 4-bromo- |
| Exact Mass | 230.031 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.031 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 231.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H15BrO/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10,12H,1-4H2 |
| Smiles | C1C2CC3CC1C(C(C2)C3Br)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1470943