Molecular properties
- Formula
- C13H20O
- Molar mass
- 192.30 g·mol−1
- Exact mass
- 192.1514 Da
- 4
- PubChem CID
- 16143
Molecule record
4-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
- 1987-50-4
- 217-862-0
- 4-(Hept-1-yl)phenol
- 4-Heptylphenol #
- 4-n-Heptylphenol
- AKOS002685653
- CAS-1987-50-4
- DTXCID209036
Show all 24 synonyms
- DTXSID2037714
- EINECS 217-862-0
- H0615
- HEPTANYL-P-PHENOL
- I743Z35DVB
- MFCD00041751
- P-HYDROXY-N-HEPTYLBENZENE
- PHENOL, P-HEPTYL-
- Phenol, 4-heptyl-
- RefChem:1071280
- SCHEMBL184174
- UNII-I743Z35DVB
- p-Heptylphenol
- p-Hydroxyheptylbenzene
- p-heptyl phenol
- p-n-Heptylphenol
Structure identifiers
- Canonical SMILES
- CCCCCCCc1ccc(O)cc1
- Isomeric SMILES
- CCCCCCCC1=CC=C(C=C1)O
- InChI
- InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3
- InChIKey
- KNDDEFBFJLKPFE-UHFFFAOYSA-N
- PubChem CID
- 16143
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 4-heptylphenol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-heptylphenol; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.