2-thiophen-2-yloxyphenol;zirconium(2+);dichloride

C10H8Cl2O2SZr — CID 174428379

IUPAC2-thiophen-2-yloxyphenol;zirconium(2+);dichloride
SMILESOc1ccccc1Oc1cccs1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C10H8O2S.2ClH.Zr/c11-8-4-1-2-5-9(8)12-10-6-3-7-13-10;;;/h1-7,11H;2*1H;/q;;;+2/p-2
InChIKeyHNPOFNDFPBZVOT-UHFFFAOYSA-L
MW354.37 g/mol
LogP-2.75
Rot. Bonds2

About 2-thiophen-2-yloxyphenol;zirconium(2+);dichloride

2-thiophen-2-yloxyphenol;zirconium(2+);dichloride (PubChem CID 174428379) has the molecular formula C10H8Cl2O2SZr and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-thiophen-2-yloxyphenol;zirconium(2+);dichloride.

Molecular Properties

Compound Name2-thiophen-2-yloxyphenol;zirconium(2+);dichloride
PubChem CID174428379
Molecular FormulaC10H8Cl2O2SZr
Molecular Weight354.37 g/mol
Exact Mass351.87
IUPAC Name2-thiophen-2-yloxyphenol;zirconium(2+);dichloride
SMILESOc1ccccc1Oc1cccs1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C10H8O2S.2ClH.Zr/c11-8-4-1-2-5-9(8)12-10-6-3-7-13-10;;;/h1-7,11H;2*1H;/q;;;+2/p-2
InChIKeyHNPOFNDFPBZVOT-UHFFFAOYSA-L
XLogP-2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 5-2.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yloxyphenol;zirconium(2+);dichloride?
The IUPAC name of 2-thiophen-2-yloxyphenol;zirconium(2+);dichloride (CID 174428379) is 2-thiophen-2-yloxyphenol;zirconium(2+);dichloride.
What is the SMILES notation for 2-thiophen-2-yloxyphenol;zirconium(2+);dichloride?
The canonical SMILES for 2-thiophen-2-yloxyphenol;zirconium(2+);dichloride is Oc1ccccc1Oc1cccs1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 2-thiophen-2-yloxyphenol;zirconium(2+);dichloride?
The InChIKey is HNPOFNDFPBZVOT-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O2S.2ClH.Zr/c11-8-4-1-2-5-9(8)12-10-6-3-7-13-10;;;/h1-7,11H;2*1H;/q;;;+2/p-2.
What are the key properties of 2-thiophen-2-yloxyphenol;zirconium(2+);dichloride?
2-thiophen-2-yloxyphenol;zirconium(2+);dichloride has a molecular weight of 354.37 g/mol, XLogP of -2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yloxyphenol;zirconium(2+);dichloride is sourced from PubChem (CID 174428379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).