bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc

C16H18N2O4P2Zn+2 — CID 173029941

IUPACbis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc
SMILESCn1ccnc1.O=[P+](O)c1ccccc1.O=[P+](O)c1ccccc1.[Zn]
InChIInChI=1S/2C6H5O2P.C4H6N2.Zn/c2*7-9(8)6-4-2-1-3-5-6;1-6-3-2-5-4-6;/h2*1-5H;2-4H,1H3;/p+2
InChIKeyDVKGBJURGWSZHN-UHFFFAOYSA-P
MW429.67 g/mol
LogP2.51
Rot. Bonds2

About bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc

bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc (PubChem CID 173029941) has the molecular formula C16H18N2O4P2Zn+2 and a molecular weight of 429.67 g/mol. Its IUPAC name is bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc.

Molecular Properties

Compound Namebis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc
PubChem CID173029941
Molecular FormulaC16H18N2O4P2Zn+2
Molecular Weight429.67 g/mol
Exact Mass428.00
IUPAC Namebis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc
SMILESCn1ccnc1.O=[P+](O)c1ccccc1.O=[P+](O)c1ccccc1.[Zn]
InChIInChI=1S/2C6H5O2P.C4H6N2.Zn/c2*7-9(8)6-4-2-1-3-5-6;1-6-3-2-5-4-6;/h2*1-5H;2-4H,1H3;/p+2
InChIKeyDVKGBJURGWSZHN-UHFFFAOYSA-P
XLogP2.51
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.67
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc?
The IUPAC name of bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc (CID 173029941) is bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc.
What is the SMILES notation for bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc?
The canonical SMILES for bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc is Cn1ccnc1.O=[P+](O)c1ccccc1.O=[P+](O)c1ccccc1.[Zn].
What is the InChIKey of bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc?
The InChIKey is DVKGBJURGWSZHN-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H5O2P.C4H6N2.Zn/c2*7-9(8)6-4-2-1-3-5-6;1-6-3-2-5-4-6;/h2*1-5H;2-4H,1H3;/p+2.
What are the key properties of bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc?
bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc has a molecular weight of 429.67 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole;zinc is sourced from PubChem (CID 173029941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).