zinc dioxido-oxo-phenyl-lambda5-phosphane

C6H5O3PZn — CID 15878909

IUPACzinc dioxido-oxo-phenyl-lambda5-phosphane
SMILESO=P([O-])([O-])c1ccccc1.[Zn+2]
InChIInChI=1S/C6H7O3P.Zn/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);/q;+2/p-2
InChIKeyVYXPIEPOZNGSJX-UHFFFAOYSA-L
MW221.47 g/mol
LogP-0.78
Rot. Bonds1

About zinc dioxido-oxo-phenyl-lambda5-phosphane

zinc dioxido-oxo-phenyl-lambda5-phosphane (PubChem CID 15878909) has the molecular formula C6H5O3PZn and a molecular weight of 221.47 g/mol. Its IUPAC name is zinc dioxido-oxo-phenyl-lambda5-phosphane.

Molecular Properties

Compound Namezinc dioxido-oxo-phenyl-lambda5-phosphane
PubChem CID15878909
Molecular FormulaC6H5O3PZn
Molecular Weight221.47 g/mol
Exact Mass219.93
IUPAC Namezinc dioxido-oxo-phenyl-lambda5-phosphane
SMILESO=P([O-])([O-])c1ccccc1.[Zn+2]
InChIInChI=1S/C6H7O3P.Zn/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);/q;+2/p-2
InChIKeyVYXPIEPOZNGSJX-UHFFFAOYSA-L
XLogP-0.78
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.47
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc dioxido-oxo-phenyl-lambda5-phosphane?
The IUPAC name of zinc dioxido-oxo-phenyl-lambda5-phosphane (CID 15878909) is zinc dioxido-oxo-phenyl-lambda5-phosphane.
What is the SMILES notation for zinc dioxido-oxo-phenyl-lambda5-phosphane?
The canonical SMILES for zinc dioxido-oxo-phenyl-lambda5-phosphane is O=P([O-])([O-])c1ccccc1.[Zn+2].
What is the InChIKey of zinc dioxido-oxo-phenyl-lambda5-phosphane?
The InChIKey is VYXPIEPOZNGSJX-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7O3P.Zn/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);/q;+2/p-2.
What are the key properties of zinc dioxido-oxo-phenyl-lambda5-phosphane?
zinc dioxido-oxo-phenyl-lambda5-phosphane has a molecular weight of 221.47 g/mol, XLogP of -0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc dioxido-oxo-phenyl-lambda5-phosphane is sourced from PubChem (CID 15878909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).