(4-hydroxyphenyl) sulfate

C6H5O5S- — CID 14767563

IUPAC(4-hydroxyphenyl) sulfate
SMILESO=S(=O)([O-])Oc1ccc(O)cc1
InChIInChI=1S/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)/p-1
InChIKeyFPXPQMOQWJZYBL-UHFFFAOYSA-M
MW189.17 g/mol
LogP0.23
Rot. Bonds2

About (4-hydroxyphenyl) sulfate

(4-hydroxyphenyl) sulfate (PubChem CID 14767563) has the molecular formula C6H5O5S- and a molecular weight of 189.17 g/mol. Its IUPAC name is (4-hydroxyphenyl) sulfate.

Molecular Properties

Compound Name(4-hydroxyphenyl) sulfate
PubChem CID14767563
Molecular FormulaC6H5O5S-
Molecular Weight189.17 g/mol
Exact Mass188.99
IUPAC Name(4-hydroxyphenyl) sulfate
SMILESO=S(=O)([O-])Oc1ccc(O)cc1
InChIInChI=1S/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)/p-1
InChIKeyFPXPQMOQWJZYBL-UHFFFAOYSA-M
XLogP0.23
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.23
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 (4-hydroxyphenyl) sulfate?
The IUPAC name of (4-hydroxyphenyl) sulfate (CID 14767563) is (4-hydroxyphenyl) sulfate.
What is the SMILES notation for (4-hydroxyphenyl) sulfate?
The canonical SMILES for (4-hydroxyphenyl) sulfate is O=S(=O)([O-])Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) sulfate?
The InChIKey is FPXPQMOQWJZYBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)/p-1.
What are the key properties of (4-hydroxyphenyl) sulfate?
(4-hydroxyphenyl) sulfate has a molecular weight of 189.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) sulfate is sourced from PubChem (CID 14767563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).