Stemphol
PubChem CID: 170949
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| Compound Synonyms | Stemphol, 2-butyl-5-pentylbenzene-1,3-diol, 70680-20-5, 2-butyl-5-pentylresorcinol, 50982-33-7, DTXSID10198982, 2(or 5)-Butyl-5(or 2)-phenyl-1,3-benzenediol, 1,3-Benzenediol, 2(or 5)-butyl-5(or 2)-phenyl-, SCHEMBL18782422, DTXCID70121473, CHEBI:182211, NSC179487, AKOS034833420, NSC-179487, AS-58877, W19548, NCGC00384855-01!2-butyl-5-pentylbenzene-1,3-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 | 181.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-butyl-5-pentylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CZZVTNRWOQFMEU-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.681 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.492 |
| Compound Name | Stemphol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.575877470588234 |
| Inchi | InChI=1S/C15H24O2/c1-3-5-7-8-12-10-14(16)13(9-6-4-2)15(17)11-12/h10-11,16-17H,3-9H2,1-2H3 |
| Smiles | CCCCCC1=CC(=C(C(=C1)O)CCCC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Baileya Pleniradiata (Plant) Rel Props:Source_db:cmaup_ingredients