MCPB

Synonyms: "2-methyl-4-chlorophenoxy gamma-butyric acid", "trifolex", "4-(4-chloro-2-methylphenoxy)butanoic acid", "legumex", "thitrol", "bexone", "trotox", "MCP-butyric", "4MCPB"

Source: 4-(4-chloro-2-methylphenoxy)butanoic acid is a phenoxybutyric herbicide.

Identifiers:

IUPAC Name: 4-(4-chloro-2-methylphenoxy)butanoic acid
CAS Number: 94-81-5
PubChem ID: 7207
InChiKey: LLWADFLAOKUBDR-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=CC(=C1)Cl)OCCCC(=O)O

Structural Properties:

Molecular Formula: C₁₁H₁₃ClO₃
Molecular Weight: 228.672

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 15

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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

Van den Berg KJ, van Raaij JAGM, Bragt PC, Notten WRF. 1991. Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol 65(1):15-19.