Summary

IMPPAT Phytochemical identifier: IMPHY005663

Phytochemical name: 2,6-Di-tert-butyl-4-ethylphenol

Synonymous chemical names:
2,6-di-tert-butyl-4-ethylphenol

External chemical identifiers:
CID:20087, ChEMBL:CHEMBL225620, ZINC:ZINC000001653028, FDASRS:SV7OZ6J97M, SureChEMBL:SCHEMBL39434, MolPort-002-501-880

---

Chemical structure information

SMILES:
CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

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

InChIKey:
BVUXDWXKPROUDO-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6)CC)C)C)))O))CC)C)C

Functional groups:
cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.041

---

Chemical structure download