2-propylphenolate;zirconium(2+);chloride

C9H11ClOZr — CID 22137017

IUPAC2-propylphenolate;zirconium(2+);chloride
SMILESCCCc1ccccc1[O-].[Cl-].[Zr+2]
InChIInChI=1S/C9H12O.ClH.Zr/c1-2-5-8-6-3-4-7-9(8)10;;/h3-4,6-7,10H,2,5H2,1H3;1H;/q;;+2/p-2
InChIKeyQTIDFJFSGZDFRS-UHFFFAOYSA-L
MW261.86 g/mol
LogP-1.29
Rot. Bonds2

About 2-propylphenolate;zirconium(2+);chloride

2-propylphenolate;zirconium(2+);chloride (PubChem CID 22137017) has the molecular formula C9H11ClOZr and a molecular weight of 261.86 g/mol. Its IUPAC name is 2-propylphenolate;zirconium(2+);chloride.

Molecular Properties

Compound Name2-propylphenolate;zirconium(2+);chloride
PubChem CID22137017
Molecular FormulaC9H11ClOZr
Molecular Weight261.86 g/mol
Exact Mass259.95
IUPAC Name2-propylphenolate;zirconium(2+);chloride
SMILESCCCc1ccccc1[O-].[Cl-].[Zr+2]
InChIInChI=1S/C9H12O.ClH.Zr/c1-2-5-8-6-3-4-7-9(8)10;;/h3-4,6-7,10H,2,5H2,1H3;1H;/q;;+2/p-2
InChIKeyQTIDFJFSGZDFRS-UHFFFAOYSA-L
XLogP-1.29
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.86
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propylphenolate;zirconium(2+);chloride?
The IUPAC name of 2-propylphenolate;zirconium(2+);chloride (CID 22137017) is 2-propylphenolate;zirconium(2+);chloride.
What is the SMILES notation for 2-propylphenolate;zirconium(2+);chloride?
The canonical SMILES for 2-propylphenolate;zirconium(2+);chloride is CCCc1ccccc1[O-].[Cl-].[Zr+2].
What is the InChIKey of 2-propylphenolate;zirconium(2+);chloride?
The InChIKey is QTIDFJFSGZDFRS-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H12O.ClH.Zr/c1-2-5-8-6-3-4-7-9(8)10;;/h3-4,6-7,10H,2,5H2,1H3;1H;/q;;+2/p-2.
What are the key properties of 2-propylphenolate;zirconium(2+);chloride?
2-propylphenolate;zirconium(2+);chloride has a molecular weight of 261.86 g/mol, XLogP of -1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylphenolate;zirconium(2+);chloride is sourced from PubChem (CID 22137017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).