Molecular properties
- Formula
- C17H26O
- Molar mass
- 246.39 g·mol−1
- Exact mass
- 246.1984 Da
- 5
- PubChem CID
- 53440159
Molecule record
1-phenyl-3-propyloctan-1-one
C17H26O
246.39 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ketone
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-phenyl-3-propyl-1-octanone
- 4-nonylacetophenone
- LBTIXAMZNGEYQV-UHFFFAOYSA-N
- SCHEMBL962498
Structure identifiers
- Canonical SMILES
- CCCCCC(CCC)CC(=O)c1ccccc1
- Isomeric SMILES
- CCCCCC(CCC)CC(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C17H26O/c1-3-5-7-11-15(10-4-2)14-17(18)16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3
- InChIKey
- LBTIXAMZNGEYQV-UHFFFAOYSA-N
- PubChem CID
- 53440159
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 1-phenyl-3-propyloctan-1-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-phenyl-3-propyloctan-1-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.