2-(Butan-2-yl)-6-ethylphenol

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Basic information

CAS: 74926-91-3
Standard SMILES: CCc1cccc(C(C)CC)c1O
InChIKey: WKMUONDKNHDXME-UHFFFAOYSA-N
Molecular formula: C12H18O
Average molar mass: 178.27 g/mol
Monoisotopic mass: 178.13576519

Names & identifiers

Preferred name: 2-(Butan-2-yl)-6-ethylphenol
IUPAC: 2-butan-2-yl-6-ethylphenol

Names & synonyms

74926-91-32-(Butan-2-yl)-6-ethylphenolDTXSID10996420RefChem:1061495DTXCID1014234382-(sec-Butyl)-6-ethylphenolBRN 3240087Phenol, 2-(sec-butyl)-6-ethyl-2-ethyl-6-s-butylphenol4-06-00-03432 (Beilstein Handbook Reference)CHEMBL26740SCHEMBL10486191

Database identifiers

CAS: 74926-91-3
PubChem CID: 3058293
DTXSID: DTXSID10996420
ChEMBL: CHEMBL26740
Nikkaji: J79.085K

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 144

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Compound notes

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