4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol
PubChem CID: 11830934
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL5277383 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OJURUWLXPJSRPZ-OAHLLOKOSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.838 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.987 |
| Compound Name | 4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.630807999999999 |
| Inchi | InChI=1S/C15H22O/c1-11-6-7-13(16)12(10-11)15(4)9-5-8-14(15,2)3/h6-7,10,16H,5,8-9H2,1-4H3/t15-/m1/s1 |
| Smiles | CC1=CC(=C(C=C1)O)[C@]2(CCCC2(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Philippinense (Plant) Rel Props:Source_db:cmaup_ingredients