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Molecule record

3-butan-2-ylphenol

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
107117

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

  • 3-(1-Methylpropyl)phenol
  • 3-sec-Butylphenol
  • 3522-86-9
  • CHEMBL464393
  • CS-0254188
  • DTXCID501023460
  • DTXSID90883985
  • NBYBZLCUXTUWBA-UHFFFAOYSA-N
Show all 13 synonyms
  • Phenol, 3-(1-methylpropyl)-
  • RefChem:860887
  • SCHEMBL17399704
  • SCHEMBL1802947
  • SCHEMBL97542

Structure identifiers

Canonical SMILES
CCC(C)c1cccc(O)c1
Isomeric SMILES
CCC(C)C1=CC(=CC=C1)O
InChI
InChI=1S/C10H14O/c1-3-8(2)9-5-4-6-10(11)7-9/h4-8,11H,3H2,1-2H3
InChIKey
NBYBZLCUXTUWBA-UHFFFAOYSA-N
PubChem CID
107117

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-butan-2-ylphenol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-butan-2-ylphenol; 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