Molecular Identity
25013-16-5
2-tert-butyl-4-methoxyphenol
PubChem CID: 8456
3-tert-butyl-4-hydroxyanisole is an aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group. It has a role as an antioxidant and a human xenobiotic metabolite. It is a member of phenols and an aromatic ether.
2D Structure
Properties
C11H16O2
Molecular Formula
180.24
Molecular Weight
g/mol
180.1150
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
29.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
160
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
25013-16-5Phenol, (1,1-dimethylethyl)-4-methoxy-tert-Butyl-4-hydroxyanisole2(3)-tert-Butyl-4-hydroxyanisoleAntrancine 12Nipantiox 1-FTenox BHAButylohydroksyanizolButyl hydroxyanisoleBOA (antioxidant)Sustane 1-FEEC No. E320Premerge plusPhenol, tert-butyl-4-methoxy-Nipantiox 1F
Data from PubChem (NCBI)
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