Molecule record

2-benzylcyclopentan-1-one

C12H14O

174.24 g/mol

Loading structure

Molecular properties

Formula
C12H14O
Molar mass
174.24 g·mol−1
Exact mass
174.1045 Da
6
PubChem CID
4647132

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ketone

Physical properties

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

Common names and synonyms

  • 2-BENZYL-CYCLOPENTANONE
  • 2-benzyl-cyclopentan-1-one
  • 2-benzylcyclopentanone
  • 2867-63-2
  • 692-523-1
  • A1-10890
  • AKOS010639893
  • AS-61330
Show all 24 synonyms
  • CAA86763
  • Cyclopentanone, 2-(phenylmethyl)-
  • DB-005982
  • DTXCID201744445
  • DTXSID601318933
  • E77030
  • EN300-80669
  • F847902
  • F8880-6540
  • MFCD00196906
  • RefChem:465688
  • SCHEMBL4944390
  • SCHEMBL793526
  • SCHEMBL7960384
  • SY185984
  • TVKMRMXVNWHKTF-UHFFFAOYSA-N

Structure identifiers

Canonical SMILES
O=C1CCCC1Cc1ccccc1
Isomeric SMILES
C1CC(C(=O)C1)CC2=CC=CC=C2
InChI
InChI=1S/C12H14O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKey
TVKMRMXVNWHKTF-UHFFFAOYSA-N
PubChem CID
4647132

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 2-benzylcyclopentan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-benzylcyclopentan-1-one; 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