2,6-Di-tert-butyl-4-ethylphenol
PubChem CID: 20087
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,6-Di-tert-butyl-4-ethylphenol, 4130-42-1, Ionol 2, 2,6-ditert-butyl-4-ethylphenol, 4-Ethyl-2,6-di-tert-butylphenol, Yoshinox 250, Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-, Sandant 425, Phenol, 2,6-di-tert-butyl-4-ethyl-, Nocrac M 17, 2,6-Bis(1,1-dimethylethyl)-4-ethylphenol, 1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene, NSC 14453, 2,6-di-t-Butyl-4-ethylphenol, EINECS 223-945-2, SV7OZ6J97M, Nocrac M17, CCRIS 8263, DTXSID0029262, NSC-14453, NOCLIZER M 17, DTXCID909262, 2,6-di-tert-butyl-4-ethyl-phenol, 2,6-Bis(1,1-dimethylethyl)-4-ethyl-Phenol, 1-Hydroxy-4-ethyl-2, 6-di-tert-butylbenzene, Phenol, 2,6-bis-(1.1-dimethylethyl)-4-ethyl, 2,6-Bis(1,1-dimethylethyl)-4-ethylphenol, 9CI, 2,?6-?Di-?tert-?butyl-?4-?ethylphenol, CAS-4130-42-1, 4-ethyl-2,6-ditert-butyl-phenol, UNII-SV7OZ6J97M, MFCD00017366, SCHEMBL39434, 2,6-ditert.butyl4-ethylphenol, CHEMBL225620, SCHEMBL10865531, 2,6-di-tertbutyl-4-ethylphenol, BVUXDWXKPROUDO-UHFFFAOYSA-, CHEBI:177477, 2,1-dimethylethyl)-4-ethylphenol, Phenol,6-di-tert-butyl-4-ethyl-, 2,6-di-tert-butyl-4-ethyl phenol, NSC14453, Tox21_201584, Tox21_303397, AKOS015837918, FD70708, NCGC00249077-01, NCGC00257348-01, NCGC00259133-01, 2,6-Di-tert-butyl-4-ethylphenol, 99%, AS-14442, Phenol,6-bis(1,1-dimethylethyl)-4-ethyl-, CS-0152544, D1667, NS00020303, Phenol, 2,6-di-tert-butyl-4-ethyl-(8CI), Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI), E76076, Q26841169, 2,6-Bis(1,1-dimethylethyl)-4-ethylphenol, 1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene, 223-945-2, InChI=1/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCcccccc6)CC)C)C)))O))CC)C)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Reported as a constituent of mango and green tea leaves. 2,6-Di-tert-butyl-4-ethylphenol is found in tea and fruits. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-ditert-butyl-4-ethylphenol |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 5.7 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H26O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | BVUXDWXKPROUDO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 1-Hydroxy-4-ethyl-2, 6-di-tert-butylbenzene, 1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene, 2,6-Bis(1,1-dimethylethyl)-4-ethyl-phenol, 2,6-Bis(1,1-dimethylethyl)-4-ethylphenol, 2,6-Bis(1,1-dimethylethyl)-4-ethylphenol, 9CI, 2,6-di-t-Butyl-4-ethylphenol, 2,6-Di-tert-butyl-4-ethyl-phenol, 4-Ethyl-2,6-di-tert-butylphenol, Ionol 2, Nocrac M 17, Nocrac M17, Phenol, 2,6-bis-(1.1-dimethylethyl)-4-ethyl, Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-, Phenol, 2,6-di-tert-butyl-4-ethyl-, Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI), Sandant 425, Yoshinox 250, 2,6-Bis(1,1-dimethylethyl)-4-ethylphenol, 9ci, 2,6-Di-t-butyl-4-ethylphenol, Nocrac m 17, Nocrac m17, Phenol, 2,6-di-tert-butyl-4-ethyl- (8ci), 2,6-di-tert-butyl-4-ethylphenol |
| Substituent Name | Phenylpropane, Phenol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | cO |
| Compound Name | 2,6-Di-tert-butyl-4-ethylphenol |
| Kingdom | Organic compounds |
| Exact Mass | 234.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 234.38 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3 |
| Smiles | CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylpropanes |
- 1. Outgoing r'ship
FOUND_INto/from Elaeagnus Rhamnoides (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729