potassium 2-chlorophenolate

C6H4ClKO — CID 23678506

IUPACpotassium 2-chlorophenolate
SMILES[K+].[O-]c1ccccc1Cl
InChIInChI=1S/C6H5ClO.K/c7-5-3-1-2-4-6(5)8;/h1-4,8H;/q;+1/p-1
InChIKeyKSLKDKJNBJAMEG-UHFFFAOYSA-M
MW166.65 g/mol
LogP-1.58
Rot. Bonds

About potassium 2-chlorophenolate

potassium 2-chlorophenolate (PubChem CID 23678506) has the molecular formula C6H4ClKO and a molecular weight of 166.65 g/mol. Its IUPAC name is potassium 2-chlorophenolate.

Molecular Properties

Compound Namepotassium 2-chlorophenolate
PubChem CID23678506
Molecular FormulaC6H4ClKO
Molecular Weight166.65 g/mol
Exact Mass165.96
IUPAC Namepotassium 2-chlorophenolate
SMILES[K+].[O-]c1ccccc1Cl
InChIInChI=1S/C6H5ClO.K/c7-5-3-1-2-4-6(5)8;/h1-4,8H;/q;+1/p-1
InChIKeyKSLKDKJNBJAMEG-UHFFFAOYSA-M
XLogP-1.58
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 2-chlorophenolate?
The IUPAC name of potassium 2-chlorophenolate (CID 23678506) is potassium 2-chlorophenolate.
What is the SMILES notation for potassium 2-chlorophenolate?
The canonical SMILES for potassium 2-chlorophenolate is [K+].[O-]c1ccccc1Cl.
What is the InChIKey of potassium 2-chlorophenolate?
The InChIKey is KSLKDKJNBJAMEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5ClO.K/c7-5-3-1-2-4-6(5)8;/h1-4,8H;/q;+1/p-1.
What are the key properties of potassium 2-chlorophenolate?
potassium 2-chlorophenolate has a molecular weight of 166.65 g/mol, XLogP of -1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-chlorophenolate is sourced from PubChem (CID 23678506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).