potassium 2,3-dihydroxyphenolate

C6H5KO3 — CID 23688909

IUPACpotassium 2,3-dihydroxyphenolate
SMILES[K+].[O-]c1cccc(O)c1O
InChIInChI=1S/C6H6O3.K/c7-4-2-1-3-5(8)6(4)9;/h1-3,7-9H;/q;+1/p-1
InChIKeyDZHJVFXTMQJEKR-UHFFFAOYSA-M
MW164.20 g/mol
LogP-2.82
Rot. Bonds

About potassium 2,3-dihydroxyphenolate

potassium 2,3-dihydroxyphenolate (PubChem CID 23688909) has the molecular formula C6H5KO3 and a molecular weight of 164.20 g/mol. Its IUPAC name is potassium 2,3-dihydroxyphenolate.

Molecular Properties

Compound Namepotassium 2,3-dihydroxyphenolate
PubChem CID23688909
Molecular FormulaC6H5KO3
Molecular Weight164.20 g/mol
Exact Mass163.99
IUPAC Namepotassium 2,3-dihydroxyphenolate
SMILES[K+].[O-]c1cccc(O)c1O
InChIInChI=1S/C6H6O3.K/c7-4-2-1-3-5(8)6(4)9;/h1-3,7-9H;/q;+1/p-1
InChIKeyDZHJVFXTMQJEKR-UHFFFAOYSA-M
XLogP-2.82
TPSA63.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-2.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 2,3-dihydroxyphenolate?
The IUPAC name of potassium 2,3-dihydroxyphenolate (CID 23688909) is potassium 2,3-dihydroxyphenolate.
What is the SMILES notation for potassium 2,3-dihydroxyphenolate?
The canonical SMILES for potassium 2,3-dihydroxyphenolate is [K+].[O-]c1cccc(O)c1O.
What is the InChIKey of potassium 2,3-dihydroxyphenolate?
The InChIKey is DZHJVFXTMQJEKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O3.K/c7-4-2-1-3-5(8)6(4)9;/h1-3,7-9H;/q;+1/p-1.
What are the key properties of potassium 2,3-dihydroxyphenolate?
potassium 2,3-dihydroxyphenolate has a molecular weight of 164.20 g/mol, XLogP of -2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,3-dihydroxyphenolate is sourced from PubChem (CID 23688909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).