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Molecule record

propoxybenzene

C9H12O

136.19 g/mol

Loading structure

Molecular properties

Formula
C9H12O
Molar mass
136.19 g·mol−1
Exact mass
136.0888 Da
4
PubChem CID
12155

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

  • 210-756-5
  • 4-06-00-00556 (Beilstein Handbook Reference)
  • 622-85-5
  • AI3-24227
  • BRN 1634987
  • Benzene, propoxy-
  • DSNYFFJTZPIKFZ-UHFFFAOYSA-N
  • DTXCID9043275
Show all 24 synonyms
  • DTXSID1060760
  • EINECS 210-756-5
  • Ether, phenyl propyl
  • Ether, propyl phenyl
  • InChI=1/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H
  • MFCD00039935
  • PHENYL PROPYL ETHER
  • Propoxyphenyl
  • Propyl phenyl ether
  • RefChem:117341
  • UNII-XBA82A8RYZ
  • XBA82A8RYZ
  • benzene, n-propoxy-
  • phenoxy propane
  • phenylpropyl ether
  • propoxy-benzene

Structure identifiers

Canonical SMILES
CCCOc1ccccc1
Isomeric SMILES
CCCOC1=CC=CC=C1
InChI
InChI=1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
DSNYFFJTZPIKFZ-UHFFFAOYSA-N
PubChem CID
12155

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 propoxybenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for propoxybenzene; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record