Molecule record

4-octylphenol

C14H22O

206.33 g/mol

Loading structure

Molecular properties

Formula
C14H22O
Molar mass
206.33 g·mol−1
Exact mass
206.1671 Da
4
PubChem CID
15730

Functional groups

Alkane / alkyl carbon
Aromatic ring
Phenol

Physical properties

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

Common names and synonyms

  • 1-(p-Hydroxyphenyl)octane
  • 1806-26-4
  • 217-302-5
  • 4-n-Octylphenol
  • 4-octyl phenol
  • 4-octyl-pheno
  • 4-tert-Octylphenol; NSC 5427; NSC 7248;p-t-Octylphenol; p-tert-Octylphenol
  • 7DF2B8LH3P
Show all 24 synonyms
  • CHEBI:34432
  • DTXCID902312
  • DTXSID9022312
  • EINECS 217-302-5
  • HSDB 5857
  • MFCD00036134
  • MLS001055340
  • NCGC00090986-03
  • Phenol, 4-octyl-
  • Phenol, p-octyl-
  • RefChem:100248
  • SMR000677939
  • UNII-7DF2B8LH3P
  • p-Octylphenol
  • p-octyl phenol
  • para-Octylphenol

Structure identifiers

Canonical SMILES
CCCCCCCCc1ccc(O)cc1
Isomeric SMILES
CCCCCCCCC1=CC=C(C=C1)O
InChI
InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
InChIKey
NTDQQZYCCIDJRK-UHFFFAOYSA-N
PubChem CID
15730

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 4-octylphenol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-octylphenol; not experimental data.

Sources

Molecule identity

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

Open source record