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Molecule record

3-butylphenol

C10H14O

150.22 g/mol

Loading structure

Molecular properties

Formula
C10H14O
Molar mass
150.22 g·mol−1
Exact mass
150.1045 Da
4
PubChem CID
19994

Functional groups

Alkane / alkyl carbon
Aromatic ring
Phenol

Physical properties

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

Common names and synonyms

  • 4074-43-5
  • 4750GDF6TN
  • CHEMBL464392
  • DTXCID00116216
  • DTXSID60193725
  • EINECS 223-790-0
  • M-HYDROXY-N-BUTYLBENZENE
  • MQSXUKPGWMJYBT-UHFFFAOYSA-N
Show all 24 synonyms
  • PHENOL, m-BUTYL-
  • Phenol, 3-butyl-
  • RefChem:93304
  • SCHEMBL1010469
  • SCHEMBL11134188
  • SCHEMBL16961176
  • SCHEMBL27413087
  • SCHEMBL295433
  • SCHEMBL29558042
  • SCHEMBL5644855
  • SCHEMBL5644857
  • SCHEMBL820750
  • SCHEMBL8671259
  • UNII-4750GDF6TN
  • m-Butylphenol
  • m-Hydroxybutylbenzene

Structure identifiers

Canonical SMILES
CCCCc1cccc(O)c1
Isomeric SMILES
CCCCC1=CC(=CC=C1)O
InChI
InChI=1S/C10H14O/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-8,11H,2-3,5H2,1H3
InChIKey
MQSXUKPGWMJYBT-UHFFFAOYSA-N
PubChem CID
19994

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-butylphenol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-butylphenol; 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