2,4,6-trichlorophenolate

C6H2Cl3O- — CID 13031202

IUPAC2,4,6-trichlorophenolate
SMILES[O-]c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/p-1
InChIKeyLINPIYWFGCPVIE-UHFFFAOYSA-M
MW196.44 g/mol
LogP2.72
Rot. Bonds

About 2,4,6-trichlorophenolate

2,4,6-trichlorophenolate (PubChem CID 13031202) has the molecular formula C6H2Cl3O- and a molecular weight of 196.44 g/mol. Its IUPAC name is 2,4,6-trichlorophenolate.

Molecular Properties

Compound Name2,4,6-trichlorophenolate
PubChem CID13031202
Molecular FormulaC6H2Cl3O-
Molecular Weight196.44 g/mol
Exact Mass194.92
IUPAC Name2,4,6-trichlorophenolate
SMILES[O-]c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/p-1
InChIKeyLINPIYWFGCPVIE-UHFFFAOYSA-M
XLogP2.72
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichlorophenolate?
The IUPAC name of 2,4,6-trichlorophenolate (CID 13031202) is 2,4,6-trichlorophenolate.
What is the SMILES notation for 2,4,6-trichlorophenolate?
The canonical SMILES for 2,4,6-trichlorophenolate is [O-]c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichlorophenolate?
The InChIKey is LINPIYWFGCPVIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/p-1.
What are the key properties of 2,4,6-trichlorophenolate?
2,4,6-trichlorophenolate has a molecular weight of 196.44 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichlorophenolate is sourced from PubChem (CID 13031202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).