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

C16H18CoN2O4P2+2 — CID 173029942

IUPACcobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole
SMILESCn1ccnc1.O=[P+](O)c1ccccc1.O=[P+](O)c1ccccc1.[Co]
InChIInChI=1S/2C6H5O2P.C4H6N2.Co/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
InChIKeyZRMLJGWCUVIIFN-UHFFFAOYSA-P
MW423.21 g/mol
LogP2.51
Rot. Bonds2

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

cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole (PubChem CID 173029942) has the molecular formula C16H18CoN2O4P2+2 and a molecular weight of 423.21 g/mol. Its IUPAC name is cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole.

Molecular Properties

Compound Namecobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole
PubChem CID173029942
Molecular FormulaC16H18CoN2O4P2+2
Molecular Weight423.21 g/mol
Exact Mass423.01
IUPAC Namecobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole
SMILESCn1ccnc1.O=[P+](O)c1ccccc1.O=[P+](O)c1ccccc1.[Co]
InChIInChI=1S/2C6H5O2P.C4H6N2.Co/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
InChIKeyZRMLJGWCUVIIFN-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 ≤ 500423.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 173148040
iron;tetrakis(1-methylimidazole);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
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barium(2+);ethane;1-methylimidazole;difluoride
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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole?
The IUPAC name of cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole (CID 173029942) is cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole.
What is the SMILES notation for cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole?
The canonical SMILES for cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole is Cn1ccnc1.O=[P+](O)c1ccccc1.O=[P+](O)c1ccccc1.[Co].
What is the InChIKey of cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole?
The InChIKey is ZRMLJGWCUVIIFN-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H5O2P.C4H6N2.Co/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 cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole?
cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole has a molecular weight of 423.21 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 cobalt;bis(hydroxy-oxo-phenylphosphanium);1-methylimidazole is sourced from PubChem (CID 173029942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).