bis(naphthalen-1-ol);zirconium(2+);dichloride

C20H16Cl2O2Zr — CID 21243616

IUPACbis(naphthalen-1-ol);zirconium(2+);dichloride
SMILESOc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C10H8O.2ClH.Zr/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;;;/h2*1-7,11H;2*1H;/q;;;;+2/p-2
InChIKeyWZQWKOZNXFKVBU-UHFFFAOYSA-L
MW450.48 g/mol
LogP-0.90
Rot. Bonds

About bis(naphthalen-1-ol);zirconium(2+);dichloride

bis(naphthalen-1-ol);zirconium(2+);dichloride (PubChem CID 21243616) has the molecular formula C20H16Cl2O2Zr and a molecular weight of 450.48 g/mol. Its IUPAC name is bis(naphthalen-1-ol);zirconium(2+);dichloride.

Molecular Properties

Compound Namebis(naphthalen-1-ol);zirconium(2+);dichloride
PubChem CID21243616
Molecular FormulaC20H16Cl2O2Zr
Molecular Weight450.48 g/mol
Exact Mass447.96
IUPAC Namebis(naphthalen-1-ol);zirconium(2+);dichloride
SMILESOc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C10H8O.2ClH.Zr/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;;;/h2*1-7,11H;2*1H;/q;;;;+2/p-2
InChIKeyWZQWKOZNXFKVBU-UHFFFAOYSA-L
XLogP-0.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(naphthalen-1-ol);zirconium(2+);dichloride?
The IUPAC name of bis(naphthalen-1-ol);zirconium(2+);dichloride (CID 21243616) is bis(naphthalen-1-ol);zirconium(2+);dichloride.
What is the SMILES notation for bis(naphthalen-1-ol);zirconium(2+);dichloride?
The canonical SMILES for bis(naphthalen-1-ol);zirconium(2+);dichloride is Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of bis(naphthalen-1-ol);zirconium(2+);dichloride?
The InChIKey is WZQWKOZNXFKVBU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8O.2ClH.Zr/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;;;/h2*1-7,11H;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(naphthalen-1-ol);zirconium(2+);dichloride?
bis(naphthalen-1-ol);zirconium(2+);dichloride has a molecular weight of 450.48 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(naphthalen-1-ol);zirconium(2+);dichloride is sourced from PubChem (CID 21243616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).