2,6-Di-t-butyl-4-hydroxytoluene
PubChem CID: 10220096
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| Compound Synonyms | 950-56-1, 2,6-di-t-butyl-4-hydroxytoluene, 3,5-di-tert-butyl-4-methylphenol, SCHEMBL105825, CHEMBL3093613, 2,6-Ditert-buthyl-4-hydroxy toluene |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-ditert-butyl-4-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SMNGQGWPUVVORF-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.823 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.68 |
| Compound Name | 2,6-Di-t-butyl-4-hydroxytoluene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6718072 |
| Inchi | InChI=1S/C15H24O/c1-10-12(14(2,3)4)8-11(16)9-13(10)15(5,6)7/h8-9,16H,1-7H3 |
| Smiles | CC1=C(C=C(C=C1C(C)(C)C)O)C(C)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all