Molecular properties
- Formula
- C12H18
- Molar mass
- 162.28 g·mol−1
- Exact mass
- 162.1409 Da
- 4
- PubChem CID
- 22385
Molecule record
hexan-2-ylbenzene
C12H18
162.28 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (1-Methylpentyl)benzene
- (1-Methylpentyl)benzene #
- 2-PHENYLHEXANE
- 2-PHENYLHEXANE, (+-)-
- 2phenylhexane
- 6031-02-3
- 8I5F5V031E
- Benzene, (1-methylpentyl)-
Show all 24 synonyms
- CYBSWFUWEZFKNJ-UHFFFAOYSA-N
- DTXCID7021447
- DTXSID9041447
- Hexane, 2-phenyl-
- RefChem:89085
- SCHEMBL1278857
- SCHEMBL190051
- SCHEMBL2487445
- SCHEMBL2824305
- SCHEMBL3020787
- SCHEMBL445672
- SCHEMBL4578844
- SCHEMBL536902
- SCHEMBL815743
- SCHEMBL820442
- UNII-8I5F5V031E
Structure identifiers
- Canonical SMILES
- CCCCC(C)c1ccccc1
- Isomeric SMILES
- CCCCC(C)C1=CC=CC=C1
- InChI
- InChI=1S/C12H18/c1-3-4-8-11(2)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3
- InChIKey
- CYBSWFUWEZFKNJ-UHFFFAOYSA-N
- PubChem CID
- 22385
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 hexan-2-ylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for hexan-2-ylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.