3-ethylphenol

Synonyms: "m-ethylphenol", "meta-ethylphenol", "1-ethyl-3-hydroxybenzene", "1-hydroxy-3-ethylbenzene"

Source: the general population may be exposed to 3-ethylphenol by inhalation of cigarette smoke or dermal contact with products containing this compound.

Identifiers:

IUPAC Name: 3-ethylphenol
CAS Number: 620-17-7
PubChem ID: 12101
InChiKey: HMNKTRSOROOSPP-UHFFFAOYSA-N
Canonical SMILES: CCC1=CC(=CC=C1)O

Structural Properties:

Molecular Formula: C₈H₁₀O
Molecular Weight: 122.164

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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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.