Herbertenediol
PubChem CID: 10014270
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| Compound Synonyms | Herbertenediol, CHEMBL5287133, 5-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 287.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GPNWEPCCGRBHED-OAHLLOKOSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.915 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.522 |
| Compound Name | Herbertenediol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4868782705882335 |
| Inchi | InChI=1S/C15H22O2/c1-10-8-11(13(17)12(16)9-10)15(4)7-5-6-14(15,2)3/h8-9,16-17H,5-7H2,1-4H3/t15-/m1/s1 |
| Smiles | CC1=CC(=C(C(=C1)O)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