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Molecule record

1-tert-butyl-4-methoxybenzene

C11H16O

164.25 g/mol

Loading structure

Molecular properties

Formula
C11H16O
Molar mass
164.25 g·mol−1
Exact mass
164.1201 Da
4
PubChem CID
94750

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1-(1,1-DIMETHYLETHYL)-4-METHOXYBENZENE
  • 1-tert-butyl-4-methoxy-benzene
  • 226-412-2
  • 4-(1,1-dimethylethyl)anisole
  • 4-TERT-BUTYLMETHOXYBENZENE
  • 4-tert-Butylanisole
  • 4-tert-Butylphenyl methyl ether
  • 5396-38-3
Show all 24 synonyms
  • AI3-03091
  • Anisole, p-tert-butyl-
  • Anisole, p-tert-butyl-(8CI)
  • Benzene, 1-(1,1-dimethylethyl)-4-methoxy-
  • DTXCID6041551
  • DTXSID3063833
  • EINECS 226-412-2
  • InChI=1/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H
  • METHYL 4-TERT-BUTYLPHENYL ETHER
  • MFCD00026309
  • NSC 1266
  • P-TERT-BUTYLPHENYL METHYL ETHER
  • RefChem:858187
  • TS0X8A7M5Y
  • p-Methoxy-tert-butylbenzene
  • p-tert-Butylanisole

Structure identifiers

Canonical SMILES
COc1ccc(C(C)(C)C)cc1
Isomeric SMILES
CC(C)(C)C1=CC=C(C=C1)OC
InChI
InChI=1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3
InChIKey
MCUPBIBNSTXCPQ-UHFFFAOYSA-N
PubChem CID
94750

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-tert-butyl-4-methoxybenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-tert-butyl-4-methoxybenzene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
1-tert-butyl-4-methoxybenzene - Formula, Structure | ChemArche