nickel(2+) diphenoxide

C12H10NiO2 — CID 22743825

IUPACnickel(2+) diphenoxide
SMILES[Ni+2].[O-]c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/2C6H6O.Ni/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2
InChIKeyQTOJRHLRJFVPJN-UHFFFAOYSA-L
MW244.90 g/mol
LogP1.52
Rot. Bonds

About nickel(2+) diphenoxide

nickel(2+) diphenoxide (PubChem CID 22743825) has the molecular formula C12H10NiO2 and a molecular weight of 244.90 g/mol. Its IUPAC name is nickel(2+) diphenoxide.

Molecular Properties

Compound Namenickel(2+) diphenoxide
PubChem CID22743825
Molecular FormulaC12H10NiO2
Molecular Weight244.90 g/mol
Exact Mass244.00
IUPAC Namenickel(2+) diphenoxide
SMILES[Ni+2].[O-]c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/2C6H6O.Ni/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2
InChIKeyQTOJRHLRJFVPJN-UHFFFAOYSA-L
XLogP1.52
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.90
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of nickel(2+) diphenoxide?
The IUPAC name of nickel(2+) diphenoxide (CID 22743825) is nickel(2+) diphenoxide.
What is the SMILES notation for nickel(2+) diphenoxide?
The canonical SMILES for nickel(2+) diphenoxide is [Ni+2].[O-]c1ccccc1.[O-]c1ccccc1.
What is the InChIKey of nickel(2+) diphenoxide?
The InChIKey is QTOJRHLRJFVPJN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O.Ni/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2.
What are the key properties of nickel(2+) diphenoxide?
nickel(2+) diphenoxide has a molecular weight of 244.90 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+) diphenoxide is sourced from PubChem (CID 22743825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).