4-(methylidene-λ3-iodanyl)sulfonylphenol

C7H7IO3S — CID 163866989

IUPAC4-(methylidene-λ3-iodanyl)sulfonylphenol
SMILESC=IS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C7H7IO3S/c1-8-12(10,11)7-4-2-6(9)3-5-7/h2-5,9H,1H2
InChIKeyPHMRMLRRYHEUCP-UHFFFAOYSA-N
MW298.10 g/mol
LogP1.48
Rot. Bonds2

About 4-(methylidene-λ3-iodanyl)sulfonylphenol

4-(methylidene-λ3-iodanyl)sulfonylphenol (PubChem CID 163866989) has the molecular formula C7H7IO3S and a molecular weight of 298.10 g/mol. Its IUPAC name is 4-(methylidene-λ3-iodanyl)sulfonylphenol.

Molecular Properties

Compound Name4-(methylidene-λ3-iodanyl)sulfonylphenol
PubChem CID163866989
Molecular FormulaC7H7IO3S
Molecular Weight298.10 g/mol
Exact Mass297.92
IUPAC Name4-(methylidene-λ3-iodanyl)sulfonylphenol
SMILESC=IS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C7H7IO3S/c1-8-12(10,11)7-4-2-6(9)3-5-7/h2-5,9H,1H2
InChIKeyPHMRMLRRYHEUCP-UHFFFAOYSA-N
XLogP1.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methylidene-λ3-iodanyl)sulfonylphenol?
The IUPAC name of 4-(methylidene-λ3-iodanyl)sulfonylphenol (CID 163866989) is 4-(methylidene-λ3-iodanyl)sulfonylphenol.
What is the SMILES notation for 4-(methylidene-λ3-iodanyl)sulfonylphenol?
The canonical SMILES for 4-(methylidene-λ3-iodanyl)sulfonylphenol is C=IS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(methylidene-λ3-iodanyl)sulfonylphenol?
The InChIKey is PHMRMLRRYHEUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IO3S/c1-8-12(10,11)7-4-2-6(9)3-5-7/h2-5,9H,1H2.
What are the key properties of 4-(methylidene-λ3-iodanyl)sulfonylphenol?
4-(methylidene-λ3-iodanyl)sulfonylphenol has a molecular weight of 298.10 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylidene-λ3-iodanyl)sulfonylphenol is sourced from PubChem (CID 163866989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).