2,6-Di-tert-butylphenol
PubChem CID: 31405
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| Compound Synonyms | 2,6-DI-TERT-BUTYLPHENOL, 128-39-2, 2,6-Di-t-butylphenol, Phenol, 2,6-bis(1,1-dimethylethyl)-, 2,6-Bis(tert-butyl)phenol, 2,6-Bis(1,1-dimethylethyl)phenol, 2,6-ditert-butylphenol, Ethanox 701, 2,6 Di-tert-butylphenol, Isonox 103, Ethyl 701, Ethyl AN 701, Hitec 4701, Phenol, 2,6-di-tert-butyl-, 2,6-Di-tert-butyl-phenol, 2,6-Bis(t-butyl)phenol, AN 701, NSC 49175, 2,6-DTBP, CCRIS 5828, HSDB 5616, 2,6-(1,1-Dimethylethyl)phenol, EINECS 204-884-0, MFCD00008820, DTXSID6027052, AI3-26293, NSC-49175, 21294V58PF, CHEMBL281071, DTXCID007052, CHEBI:131421, EC 204-884-0, DI-TERT-BUTYLPHENOL, 2,6-, 2,6-DI-TERT-BUTYLPHENOL [HSDB], 1,3-DITERT.BUTYL,2-HYDROXY-BENZENE, CAS-128-39-2, 2,6-di-tert-butyl phenol, 2,6-di-tert.-butylphenol, UNII-21294V58PF, 2,6Ditbutylphenol, 2,6-ditertbutylphenol, 2,6-di-t butylphenol, 2,6 ditert-butylphenol, 2,6-di-tertbutylphenol, 2,6-ditert.butylphenol, 2,6Di-tert-butylphenol, Phenol, 2,6ditertbutyl, 2,6-di(t-butyl)phenol, 2,6-di-t-butyl phenol, 2,6Bis(tertbutyl)phenol, 2,1-dimethylethyl)phenol, 2,6-Di- t-butylphenol, 2,6-ditert.-butylphenol, 2,6-di- tert-butylphenol, 2,6-di-tert.butyl-phenol, 2,6-di-tert-butyl- phenol, 2,6-di-tert.-butyl phenol, 2,6-di-tert.-butyl-phenol, 2,6-di-tertiary butylphenol, SCHEMBL38598, Phenol, 2,6-bis(t-butyl), BIDD:ER0032, 2,6 -di-tert.-butyl phenol, 2,6-di-tertiary-butyl phenol, 2,6-Di-tert-butyl-4-phenol, 2,6-Di-tert-butylhydroxybenzene, 2,6Bis(1,1dimethylethyl)phenol, 2,6-Di-tert-butylphenol, 99%, BCP25862, NSC49175, 2,6-di-(1,1-dimethylethyl)phenol, Phenol, 2,6bis(1,1dimethylethyl), Tox21_200442, Tox21_300091, 2,6-bis (1,1-dimethylethyl)phenol, BDBM50240431, STL280177, AKOS009031587, NCGC00164272-01, NCGC00164272-02, NCGC00164272-03, NCGC00254067-01, NCGC00257996-01, AC-14913, PD180190, SK8265000, D0941, NS00010301, EN300-19647, F87064, Q2218184, Z104474592, 2,6-(1,1-Dimethylethyl)phenol 2,6-bis(1,1-dimethylethyl)-pheno, 204-884-0 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18507, P00915, P00918, P48167, Q91XP5, P19838 |
| Iupac Name | 2,6-ditert-butylphenol |
| Prediction Hob | 1.0 |
| Target Id | NPT947, NPT233 |
| Xlogp | 4.9 |
| Molecular Formula | C14H22O |
| Prediction Swissadme | 1.0 |
| Inchi Key | DKCPKDPYUFEZCP-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -4.714 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.012 |
| Compound Name | 2,6-Di-tert-butylphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 206.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 206.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3828398 |
| Inchi | InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3 |
| Smiles | CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ligusticum Elatum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ligusticum Jeholense (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Ligusticum Lucidum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
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FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Ligusticum Tenuissimum (Plant) Rel Props:Reference: