phenol;sulfonylzinc

C6H6O3SZn — CID 150803894

IUPACphenol;sulfonylzinc
SMILESO=S(=O)=[Zn].Oc1ccccc1
InChIInChI=1S/C6H6O.O2S.Zn/c7-6-4-2-1-3-5-6;1-3-2;/h1-5,7H;;
InChIKeyCJHFSLGSEJIWGU-UHFFFAOYSA-N
MW223.57 g/mol
LogP0.72
Rot. Bonds

About phenol;sulfonylzinc

phenol;sulfonylzinc (PubChem CID 150803894) has the molecular formula C6H6O3SZn and a molecular weight of 223.57 g/mol. Its IUPAC name is phenol;sulfonylzinc.

Molecular Properties

Compound Namephenol;sulfonylzinc
PubChem CID150803894
Molecular FormulaC6H6O3SZn
Molecular Weight223.57 g/mol
Exact Mass221.93
IUPAC Namephenol;sulfonylzinc
SMILESO=S(=O)=[Zn].Oc1ccccc1
InChIInChI=1S/C6H6O.O2S.Zn/c7-6-4-2-1-3-5-6;1-3-2;/h1-5,7H;;
InChIKeyCJHFSLGSEJIWGU-UHFFFAOYSA-N
XLogP0.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.57
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 154246724
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Frequently Asked Questions

What is the IUPAC name of phenol;sulfonylzinc?
The IUPAC name of phenol;sulfonylzinc (CID 150803894) is phenol;sulfonylzinc.
What is the SMILES notation for phenol;sulfonylzinc?
The canonical SMILES for phenol;sulfonylzinc is O=S(=O)=[Zn].Oc1ccccc1.
What is the InChIKey of phenol;sulfonylzinc?
The InChIKey is CJHFSLGSEJIWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.O2S.Zn/c7-6-4-2-1-3-5-6;1-3-2;/h1-5,7H;;.
What are the key properties of phenol;sulfonylzinc?
phenol;sulfonylzinc has a molecular weight of 223.57 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;sulfonylzinc is sourced from PubChem (CID 150803894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).