potassium 4-chlorophenolate

C6H4ClKO — CID 23677984

IUPACpotassium 4-chlorophenolate
SMILES[K+].[O-]c1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.K/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1
InChIKeyHMSLXWQWEJXFFR-UHFFFAOYSA-M
MW166.65 g/mol
LogP-1.58
Rot. Bonds

About potassium 4-chlorophenolate

potassium 4-chlorophenolate (PubChem CID 23677984) has the molecular formula C6H4ClKO and a molecular weight of 166.65 g/mol. Its IUPAC name is potassium 4-chlorophenolate.

Molecular Properties

Compound Namepotassium 4-chlorophenolate
PubChem CID23677984
Molecular FormulaC6H4ClKO
Molecular Weight166.65 g/mol
Exact Mass165.96
IUPAC Namepotassium 4-chlorophenolate
SMILES[K+].[O-]c1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.K/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1
InChIKeyHMSLXWQWEJXFFR-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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Related Compounds

2,4-Dichlorophenol
CID 8449
4-Chlorophenol
CID 4684
3-Chlorophenol
CID 7933
2-Chlorophenol
CID 7245
3,4-Dichlorophenol
CID 7258
4-Chloroanisole
CID 12167
Sodium 2,4,6-trichlorophenoxide
CID 23678873
Potassium phenoxide
CID 23670670
Sodium 2,4-dichlorophenolate
CID 23678872
alpha,4-Dichloroanisole
CID 88801
4-Chlorophenyl Sulfamate
CID 10104483
O-(3,5-Dichlorophenyl)hydroxylamine
CID 11736040

Frequently Asked Questions

What is the IUPAC name of potassium 4-chlorophenolate?
The IUPAC name of potassium 4-chlorophenolate (CID 23677984) is potassium 4-chlorophenolate.
What is the SMILES notation for potassium 4-chlorophenolate?
The canonical SMILES for potassium 4-chlorophenolate is [K+].[O-]c1ccc(Cl)cc1.
What is the InChIKey of potassium 4-chlorophenolate?
The InChIKey is HMSLXWQWEJXFFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5ClO.K/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1.
What are the key properties of potassium 4-chlorophenolate?
potassium 4-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 4-chlorophenolate is sourced from PubChem (CID 23677984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).