potassium (4-phenylphenyl) sulfate

C12H9KO4S — CID 102018803

IUPACpotassium (4-phenylphenyl) sulfate
SMILESO=S(=O)([O-])Oc1ccc(-c2ccccc2)cc1.[K+]
InChIInChI=1S/C12H10O4S.K/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H,13,14,15);/q;+1/p-1
InChIKeyPULZWJPOJVBDEU-UHFFFAOYSA-M
MW288.37 g/mol
LogP-0.80
Rot. Bonds3

About potassium (4-phenylphenyl) sulfate

potassium (4-phenylphenyl) sulfate (PubChem CID 102018803) has the molecular formula C12H9KO4S and a molecular weight of 288.37 g/mol. Its IUPAC name is potassium (4-phenylphenyl) sulfate.

Molecular Properties

Compound Namepotassium (4-phenylphenyl) sulfate
PubChem CID102018803
Molecular FormulaC12H9KO4S
Molecular Weight288.37 g/mol
Exact Mass287.99
IUPAC Namepotassium (4-phenylphenyl) sulfate
SMILESO=S(=O)([O-])Oc1ccc(-c2ccccc2)cc1.[K+]
InChIInChI=1S/C12H10O4S.K/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H,13,14,15);/q;+1/p-1
InChIKeyPULZWJPOJVBDEU-UHFFFAOYSA-M
XLogP-0.80
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-phenylphenyl) sulfate?
The IUPAC name of potassium (4-phenylphenyl) sulfate (CID 102018803) is potassium (4-phenylphenyl) sulfate.
What is the SMILES notation for potassium (4-phenylphenyl) sulfate?
The canonical SMILES for potassium (4-phenylphenyl) sulfate is O=S(=O)([O-])Oc1ccc(-c2ccccc2)cc1.[K+].
What is the InChIKey of potassium (4-phenylphenyl) sulfate?
The InChIKey is PULZWJPOJVBDEU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O4S.K/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H,13,14,15);/q;+1/p-1.
What are the key properties of potassium (4-phenylphenyl) sulfate?
potassium (4-phenylphenyl) sulfate has a molecular weight of 288.37 g/mol, XLogP of -0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-phenylphenyl) sulfate is sourced from PubChem (CID 102018803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).