Molecular properties
- Formula
- C13H20O
- Molar mass
- 192.30 g·mol−1
- Exact mass
- 192.1514 Da
- 4
- PubChem CID
- 33667
Molecule record
3-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
- 103151-49-1
- DTXCID00226506
- DTXSID40275058
- Phenol, 3-heptyl-
- RefChem:369171
- SCHEMBL1840864
Structure identifiers
- Canonical SMILES
- CCCCCCCc1cccc(O)c1
- Isomeric SMILES
- CCCCCCCC1=CC(=CC=C1)O
- InChI
- InChI=1S/C13H20O/c1-2-3-4-5-6-8-12-9-7-10-13(14)11-12/h7,9-11,14H,2-6,8H2,1H3
- InChIKey
- KCDFHCLOYLFCDE-UHFFFAOYSA-N
- PubChem CID
- 33667
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-heptylphenol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-heptylphenol; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.