Molecular Identity
4-Chloro-3,5-dimethylphenol
4-chloro-3,5-dimethylphenol
PubChem CID: 2723
4-chloro-3,5-dimethylphenol is a member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against Staphylococci and Gram-negative bacteria, and often inactive against Pseudomonas species. It is ineffective against bacterial spores. It has a role as a molluscicide, an antiseptic drug and a disinfectant. It is a member of phenols and a member of monochlorobenzenes. It is functionally related to a 3,5-xylenol.
2D Structure
Properties
C8H9ClO
Molecular Formula
156.61
Molecular Weight
g/mol
156.0342
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
104
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
4-Chloro-3,5-dimethylphenolchloroxylenol88-04-0PCMX4-Chloro-3,5-xylenolBenzytolp-Chloro-m-xylenolOttaseptparachlorometaxylenol2-Chloro-m-xylenol4-Chloro-m-xylenolDessonEspadolChloro-xylenolOttasept Extra
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-Chloro-3,5-dimethylphenol
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