potassium (4-hydroxyphenyl) sulfate

C6H5KO5S — CID 23679873

IUPACpotassium (4-hydroxyphenyl) sulfate
SMILESO=S(=O)([O-])Oc1ccc(O)cc1.[K+]
InChIInChI=1S/C6H6O5S.K/c7-5-1-3-6(4-2-5)11-12(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1
InChIKeyKYQHUXZXYUBUPX-UHFFFAOYSA-M
MW228.27 g/mol
LogP-2.76
Rot. Bonds2

About potassium (4-hydroxyphenyl) sulfate

potassium (4-hydroxyphenyl) sulfate (PubChem CID 23679873) has the molecular formula C6H5KO5S and a molecular weight of 228.27 g/mol. Its IUPAC name is potassium (4-hydroxyphenyl) sulfate.

Molecular Properties

Compound Namepotassium (4-hydroxyphenyl) sulfate
PubChem CID23679873
Molecular FormulaC6H5KO5S
Molecular Weight228.27 g/mol
Exact Mass227.95
IUPAC Namepotassium (4-hydroxyphenyl) sulfate
SMILESO=S(=O)([O-])Oc1ccc(O)cc1.[K+]
InChIInChI=1S/C6H6O5S.K/c7-5-1-3-6(4-2-5)11-12(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1
InChIKeyKYQHUXZXYUBUPX-UHFFFAOYSA-M
XLogP-2.76
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-2.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (4-hydroxyphenyl) sulfate?
The IUPAC name of potassium (4-hydroxyphenyl) sulfate (CID 23679873) is potassium (4-hydroxyphenyl) sulfate.
What is the SMILES notation for potassium (4-hydroxyphenyl) sulfate?
The canonical SMILES for potassium (4-hydroxyphenyl) sulfate is O=S(=O)([O-])Oc1ccc(O)cc1.[K+].
What is the InChIKey of potassium (4-hydroxyphenyl) sulfate?
The InChIKey is KYQHUXZXYUBUPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O5S.K/c7-5-1-3-6(4-2-5)11-12(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1.
What are the key properties of potassium (4-hydroxyphenyl) sulfate?
potassium (4-hydroxyphenyl) sulfate has a molecular weight of 228.27 g/mol, XLogP of -2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-hydroxyphenyl) sulfate is sourced from PubChem (CID 23679873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).