phenylmethanone;zirconium

C7H5OZr- — CID 87516869

IUPACphenylmethanone;zirconium
SMILESO=[C-]c1ccccc1.[Zr]
InChIInChI=1S/C7H5O.Zr/c8-6-7-4-2-1-3-5-7;/h1-5H;/q-1;
InChIKeyLWNYXDAEPCWSCH-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.14
Rot. Bonds1

About phenylmethanone;zirconium

phenylmethanone;zirconium (PubChem CID 87516869) has the molecular formula C7H5OZr- and a molecular weight of 196.34 g/mol. Its IUPAC name is phenylmethanone;zirconium.

Molecular Properties

Compound Namephenylmethanone;zirconium
PubChem CID87516869
Molecular FormulaC7H5OZr-
Molecular Weight196.34 g/mol
Exact Mass194.94
IUPAC Namephenylmethanone;zirconium
SMILESO=[C-]c1ccccc1.[Zr]
InChIInChI=1S/C7H5O.Zr/c8-6-7-4-2-1-3-5-7;/h1-5H;/q-1;
InChIKeyLWNYXDAEPCWSCH-UHFFFAOYSA-N
XLogP1.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenylmethanone;zirconium?
The IUPAC name of phenylmethanone;zirconium (CID 87516869) is phenylmethanone;zirconium.
What is the SMILES notation for phenylmethanone;zirconium?
The canonical SMILES for phenylmethanone;zirconium is O=[C-]c1ccccc1.[Zr].
What is the InChIKey of phenylmethanone;zirconium?
The InChIKey is LWNYXDAEPCWSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5O.Zr/c8-6-7-4-2-1-3-5-7;/h1-5H;/q-1;.
What are the key properties of phenylmethanone;zirconium?
phenylmethanone;zirconium has a molecular weight of 196.34 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanone;zirconium is sourced from PubChem (CID 87516869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).