Molecule record

3-methyl-1-benzofuran

C9H8O

132.16 g/mol

Loading structure

Molecular properties

Formula
C9H8O
Molar mass
132.16 g·mol−1
Exact mass
132.0575 Da
6
PubChem CID
88939

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 21535-97-7
  • 244-427-2
  • 3-Methyl-1-benzof
  • 3-Methyl-1-benzofuran #
  • 3-Methyl-benzofuran
  • 3-Methylbenzofuran
  • 3-Methylbenzofuran, 97%
  • 3-methylbenzo[b]furan
Show all 24 synonyms
  • 912RQB3DCW
  • Benzofuran, 3-methyl-
  • DTXCID8098362
  • DTXSID30175871
  • EINECS 244-427-2
  • F14546
  • FT-0616124
  • LITHIUMCYANIDE
  • MFCD00205641
  • RefChem:504143
  • SCHEMBL12183
  • SCHEMBL221025
  • SCHEMBL288813
  • SCHEMBL496098
  • UNII-912RQB3DCW
  • Z1203161674

Structure identifiers

Canonical SMILES
Cc1coc2ccccc12
Isomeric SMILES
CC1=COC2=CC=CC=C12
InChI
InChI=1S/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey
ZRXHLJNBNWVNIM-UHFFFAOYSA-N
PubChem CID
88939

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 3-methyl-1-benzofuran; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-methyl-1-benzofuran; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record