Molecular properties
- Formula
- C12H18O
- Molar mass
- 178.27 g·mol−1
- Exact mass
- 178.1358 Da
- 4
- PubChem CID
- 15081478
Molecule record
1-methoxy-3-pentylbenzene
C12H18O
178.27 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ether
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 20056-57-9
- 3-pentylanisole
- DTXCID50518706
- DTXSID10567932
- RefChem:231292
- SCHEMBL462206
- SCHEMBL4817193
Structure identifiers
- Canonical SMILES
- CCCCCc1cccc(OC)c1
- Isomeric SMILES
- CCCCCC1=CC(=CC=C1)OC
- InChI
- InChI=1S/C12H18O/c1-3-4-5-7-11-8-6-9-12(10-11)13-2/h6,8-10H,3-5,7H2,1-2H3
- InChIKey
- OLPBGIGBJQZLRY-UHFFFAOYSA-N
- PubChem CID
- 15081478
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-methoxy-3-pentylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-methoxy-3-pentylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.