phenol;phosphane;zirconium

C6H12OP2Zr — CID 162496766

IUPACphenol;phosphane;zirconium
SMILESOc1ccccc1.P.P.[Zr]
InChIInChI=1S/C6H6O.2H3P.Zr/c7-6-4-2-1-3-5-6;;;/h1-5,7H;2*1H3;
InChIKeyZZHWTCFQUJIHEQ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.51
Rot. Bonds

About phenol;phosphane;zirconium

phenol;phosphane;zirconium (PubChem CID 162496766) has the molecular formula C6H12OP2Zr and a molecular weight of 253.33 g/mol. Its IUPAC name is phenol;phosphane;zirconium.

Molecular Properties

Compound Namephenol;phosphane;zirconium
PubChem CID162496766
Molecular FormulaC6H12OP2Zr
Molecular Weight253.33 g/mol
Exact Mass251.94
IUPAC Namephenol;phosphane;zirconium
SMILESOc1ccccc1.P.P.[Zr]
InChIInChI=1S/C6H6O.2H3P.Zr/c7-6-4-2-1-3-5-6;;;/h1-5,7H;2*1H3;
InChIKeyZZHWTCFQUJIHEQ-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenol;phosphane;zirconium?
The IUPAC name of phenol;phosphane;zirconium (CID 162496766) is phenol;phosphane;zirconium.
What is the SMILES notation for phenol;phosphane;zirconium?
The canonical SMILES for phenol;phosphane;zirconium is Oc1ccccc1.P.P.[Zr].
What is the InChIKey of phenol;phosphane;zirconium?
The InChIKey is ZZHWTCFQUJIHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.2H3P.Zr/c7-6-4-2-1-3-5-6;;;/h1-5,7H;2*1H3;.
What are the key properties of phenol;phosphane;zirconium?
phenol;phosphane;zirconium has a molecular weight of 253.33 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;phosphane;zirconium is sourced from PubChem (CID 162496766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).