Molecular properties
- Formula
- C14H22O
- Molar mass
- 206.33 g·mol−1
- Exact mass
- 206.1671 Da
- 4
- PubChem CID
- 12321377
Molecule record
3-octylphenol
C14H22O
206.33 g/mol
Loading structure
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
- 20056-69-3
- 5-OP phenol
- 5-octylphenol
- RefChem:913557
- SCHEMBL11597445
- SCHEMBL30530045
- SCHEMBL530294
Structure identifiers
- Canonical SMILES
- CCCCCCCCc1cccc(O)c1
- Isomeric SMILES
- CCCCCCCCC1=CC(=CC=C1)O
- InChI
- InChI=1S/C14H22O/c1-2-3-4-5-6-7-9-13-10-8-11-14(15)12-13/h8,10-12,15H,2-7,9H2,1H3
- InChIKey
- QEVPNCHYTKOQMP-UHFFFAOYSA-N
- PubChem CID
- 12321377
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-octylphenol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-octylphenol; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.