Molecular properties
- Formula
- C13H20O
- Molar mass
- 192.30 g·mol−1
- Exact mass
- 192.1514 Da
- 4
- PubChem CID
- 33668
Molecule record
2-heptylphenol
C13H20O
192.30 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
- 2-heptyl-phenol
- 26997-02-4
- 4-06-00-03453 (Beilstein Handbook Reference)
- 5284-22-0
- AKOS015917620
- BRN 2253374
- DTXCID901377954
- DTXSID001031515
Show all 20 synonyms
- HEPTYLPHENOL
- Phenol, 2-heptyl-
- Phenol, heptyl-
- Phenol, o-heptyl-
- RefChem:1063274
- SCHEMBL184173
- SCHEMBL27508810
- SCHEMBL4469886
- SCHEMBL660368
- n-heptylphenol
- o-Heptylphenol
- o-n-Heptylphenol
Structure identifiers
- Canonical SMILES
- CCCCCCCc1ccccc1O
- Isomeric SMILES
- CCCCCCCC1=CC=CC=C1O
- InChI
- InChI=1S/C13H20O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h7-8,10-11,14H,2-6,9H2,1H3
- InChIKey
- FIWYWGLEPWBBQU-UHFFFAOYSA-N
- PubChem CID
- 33668
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 2-heptylphenol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-heptylphenol; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.