(2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid

C7H9O6PS — CID 175120760

IUPAC(2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid
SMILESCP(=O)(O)OS(=O)(=O)c1ccccc1O
InChIInChI=1S/C7H9O6PS/c1-14(9,10)13-15(11,12)7-5-3-2-4-6(7)8/h2-5,8H,1H3,(H,9,10)
InChIKeyAZYIEYJHXGXBGU-UHFFFAOYSA-N
MW252.18 g/mol
LogP0.91
Rot. Bonds3

About (2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid

(2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid (PubChem CID 175120760) has the molecular formula C7H9O6PS and a molecular weight of 252.18 g/mol. Its IUPAC name is (2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid.

Molecular Properties

Compound Name(2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid
PubChem CID175120760
Molecular FormulaC7H9O6PS
Molecular Weight252.18 g/mol
Exact Mass251.99
IUPAC Name(2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid
SMILESCP(=O)(O)OS(=O)(=O)c1ccccc1O
InChIInChI=1S/C7H9O6PS/c1-14(9,10)13-15(11,12)7-5-3-2-4-6(7)8/h2-5,8H,1H3,(H,9,10)
InChIKeyAZYIEYJHXGXBGU-UHFFFAOYSA-N
XLogP0.91
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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sodium;formaldehyde;2-hydroxybenzenesulfonate
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2-propan-2-ylsulfonylphenol
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2-(tert-butylsulfonimidoyl)phenol
CID 25041022
(2-sulfamoylphenyl) dihydrogen phosphate
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methylphosphonic acid;phenol
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2-(propan-2-ylsulfonimidoyl)phenol
CID 130034492
3-hydroxybenzene-1,2-disulfonoperoxoic acid
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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid?
The IUPAC name of (2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid (CID 175120760) is (2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid.
What is the SMILES notation for (2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid?
The canonical SMILES for (2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid is CP(=O)(O)OS(=O)(=O)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid?
The InChIKey is AZYIEYJHXGXBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O6PS/c1-14(9,10)13-15(11,12)7-5-3-2-4-6(7)8/h2-5,8H,1H3,(H,9,10).
What are the key properties of (2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid?
(2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid has a molecular weight of 252.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid is sourced from PubChem (CID 175120760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).