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Molecule record

1-ethoxy-3-propan-2-ylbenzene

C11H16O

164.25 g/mol

Loading structure

Molecular properties

Formula
C11H16O
Molar mass
164.25 g·mol−1
Exact mass
164.1201 Da
4
PubChem CID
12724589

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

  • 124267-89-6
  • 3-ethoxycumene
  • Benzene, 1-ethoxy-3-(1-methylethyl)-
  • Benzene, 1-ethoxy-3-(1-methylethyl)- (9CI)
  • DB-285262
  • DTXSID60508138
  • SCHEMBL16953911
  • SCHEMBL16953912
Show all 13 synonyms
  • SCHEMBL16962486
  • SCHEMBL23273619
  • SCHEMBL254878
  • SCHEMBL6474592
  • VQVKEKFXSQEVLU-UHFFFAOYSA-N

Structure identifiers

Canonical SMILES
CCOc1cccc(C(C)C)c1
Isomeric SMILES
CCOC1=CC=CC(=C1)C(C)C
InChI
InChI=1S/C11H16O/c1-4-12-11-7-5-6-10(8-11)9(2)3/h5-9H,4H2,1-3H3
InChIKey
VQVKEKFXSQEVLU-UHFFFAOYSA-N
PubChem CID
12724589

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-ethoxy-3-propan-2-ylbenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-ethoxy-3-propan-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.

PubChem(link only)
Open source record