potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate

C8H9KO6S — CID 132561079

IUPACpotassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate
SMILESO=S(=O)(O)Oc1cc(CCO)ccc1[O-].[K+]
InChIInChI=1S/C8H10O6S.K/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13;/h1-2,5,9-10H,3-4H2,(H,11,12,13);/q;+1/p-1
InChIKeyRPZFPGYYKLUPLY-UHFFFAOYSA-M
MW272.32 g/mol
LogP-3.52
Rot. Bonds4

About potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate

potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate (PubChem CID 132561079) has the molecular formula C8H9KO6S and a molecular weight of 272.32 g/mol. Its IUPAC name is potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate.

Molecular Properties

Compound Namepotassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate
PubChem CID132561079
Molecular FormulaC8H9KO6S
Molecular Weight272.32 g/mol
Exact Mass271.98
IUPAC Namepotassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate
SMILESO=S(=O)(O)Oc1cc(CCO)ccc1[O-].[K+]
InChIInChI=1S/C8H10O6S.K/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13;/h1-2,5,9-10H,3-4H2,(H,11,12,13);/q;+1/p-1
InChIKeyRPZFPGYYKLUPLY-UHFFFAOYSA-M
XLogP-3.52
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-3.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate?
The IUPAC name of potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate (CID 132561079) is potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate.
What is the SMILES notation for potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate?
The canonical SMILES for potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate is O=S(=O)(O)Oc1cc(CCO)ccc1[O-].[K+].
What is the InChIKey of potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate?
The InChIKey is RPZFPGYYKLUPLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O6S.K/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13;/h1-2,5,9-10H,3-4H2,(H,11,12,13);/q;+1/p-1.
What are the key properties of potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate?
potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate has a molecular weight of 272.32 g/mol, XLogP of -3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate is sourced from PubChem (CID 132561079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).