bis(4-methoxyphenol);zirconium(2+);dichloride

C14H16Cl2O4Zr — CID 172849740

IUPACbis(4-methoxyphenol);zirconium(2+);dichloride
SMILESCOc1ccc(O)cc1.COc1ccc(O)cc1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C7H8O2.2ClH.Zr/c2*1-9-7-4-2-6(8)3-5-7;;;/h2*2-5,8H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyZDFOSXZQMCPOCQ-UHFFFAOYSA-L
MW410.41 g/mol
LogP-3.19
Rot. Bonds2

About bis(4-methoxyphenol);zirconium(2+);dichloride

bis(4-methoxyphenol);zirconium(2+);dichloride (PubChem CID 172849740) has the molecular formula C14H16Cl2O4Zr and a molecular weight of 410.41 g/mol. Its IUPAC name is bis(4-methoxyphenol);zirconium(2+);dichloride.

Molecular Properties

Compound Namebis(4-methoxyphenol);zirconium(2+);dichloride
PubChem CID172849740
Molecular FormulaC14H16Cl2O4Zr
Molecular Weight410.41 g/mol
Exact Mass407.95
IUPAC Namebis(4-methoxyphenol);zirconium(2+);dichloride
SMILESCOc1ccc(O)cc1.COc1ccc(O)cc1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C7H8O2.2ClH.Zr/c2*1-9-7-4-2-6(8)3-5-7;;;/h2*2-5,8H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyZDFOSXZQMCPOCQ-UHFFFAOYSA-L
XLogP-3.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 5-3.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenol);zirconium(2+);dichloride?
The IUPAC name of bis(4-methoxyphenol);zirconium(2+);dichloride (CID 172849740) is bis(4-methoxyphenol);zirconium(2+);dichloride.
What is the SMILES notation for bis(4-methoxyphenol);zirconium(2+);dichloride?
The canonical SMILES for bis(4-methoxyphenol);zirconium(2+);dichloride is COc1ccc(O)cc1.COc1ccc(O)cc1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of bis(4-methoxyphenol);zirconium(2+);dichloride?
The InChIKey is ZDFOSXZQMCPOCQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H8O2.2ClH.Zr/c2*1-9-7-4-2-6(8)3-5-7;;;/h2*2-5,8H,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(4-methoxyphenol);zirconium(2+);dichloride?
bis(4-methoxyphenol);zirconium(2+);dichloride has a molecular weight of 410.41 g/mol, XLogP of -3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenol);zirconium(2+);dichloride is sourced from PubChem (CID 172849740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).