4-Ethylphenol

Synonyms: p-Ethylphenol, "1-Ethyl-4-hydroxybenzene", "1-Hydroxy-4-ethylbenzene", "para-Ethylphenol", "4-Hydroxyphenylethane", "4-ethyl-phenol", "4-Hydroxyethylbenzene", "Paraethylphenol", "4-ethyl phenol", "benzene, 1-ethyl,4-hydroxy"

Source: 4-ethylphenol is a volatile compound found in wines spoiled with the Brettanomyces wild yeast.

Identifiers:

IUPAC Name: 4-ethylphenol
CAS Number: 123-07-9
PubChem ID: 31242
InChiKey: HXDOZKJGKXYMEW-UHFFFAOYSA-N
Canonical SMILES: CCC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₈H₁₀O
Molecular Weight: 122,160

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 9

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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