Molecular properties
- Formula
- C15H22O
- Molar mass
- 218.34 g·mol−1
- Exact mass
- 218.1671 Da
- 5
- PubChem CID
- 53400691
Molecule record
1-phenyl-3-propylhexan-1-one
C15H22O
218.34 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-hexan-1-one
- 4-Heptylacetophenone
- SCHEMBL966669
Structure identifiers
- Canonical SMILES
- CCCC(CCC)CC(=O)c1ccccc1
- Isomeric SMILES
- CCCC(CCC)CC(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C15H22O/c1-3-8-13(9-4-2)12-15(16)14-10-6-5-7-11-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3
- InChIKey
- ZRIUTZDELICFDR-UHFFFAOYSA-N
- PubChem CID
- 53400691
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-propylhexan-1-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-phenyl-3-propylhexan-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.