2,3,4-trichlorophenol

C6H3Cl3O — CID 27582

IUPAC2,3,4-trichlorophenol
SMILESOc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKeyHSQFVBWFPBKHEB-UHFFFAOYSA-N
MW197.45 g/mol
LogP3.35
Rot. Bonds

About 2,3,4-trichlorophenol

2,3,4-trichlorophenol (PubChem CID 27582) has the molecular formula C6H3Cl3O and a molecular weight of 197.45 g/mol. Its IUPAC name is 2,3,4-trichlorophenol.

Molecular Properties

Compound Name2,3,4-trichlorophenol
PubChem CID27582
Molecular FormulaC6H3Cl3O
Molecular Weight197.45 g/mol
Exact Mass195.92
IUPAC Name2,3,4-trichlorophenol
SMILESOc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKeyHSQFVBWFPBKHEB-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichlorophenol?
The IUPAC name of 2,3,4-trichlorophenol (CID 27582) is 2,3,4-trichlorophenol.
What is the SMILES notation for 2,3,4-trichlorophenol?
The canonical SMILES for 2,3,4-trichlorophenol is Oc1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4-trichlorophenol?
The InChIKey is HSQFVBWFPBKHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H.
What are the key properties of 2,3,4-trichlorophenol?
2,3,4-trichlorophenol has a molecular weight of 197.45 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichlorophenol is sourced from PubChem (CID 27582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).