zinc;phenyl acetate;iodide

C8H7IO2Zn — CID 73011099

IUPACzinc;phenyl acetate;iodide
SMILESCC(=O)Oc1[c-]cccc1.[I-].[Zn+2]
InChIInChI=1S/C8H7O2.HI.Zn/c1-7(9)10-8-5-3-2-4-6-8;;/h2-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyCYZILVDKWXOAOO-UHFFFAOYSA-M
MW327.44 g/mol
LogP-1.59
Rot. Bonds1

About zinc;phenyl acetate;iodide

zinc;phenyl acetate;iodide (PubChem CID 73011099) has the molecular formula C8H7IO2Zn and a molecular weight of 327.44 g/mol. Its IUPAC name is zinc;phenyl acetate;iodide.

Molecular Properties

Compound Namezinc;phenyl acetate;iodide
PubChem CID73011099
Molecular FormulaC8H7IO2Zn
Molecular Weight327.44 g/mol
Exact Mass325.88
IUPAC Namezinc;phenyl acetate;iodide
SMILESCC(=O)Oc1[c-]cccc1.[I-].[Zn+2]
InChIInChI=1S/C8H7O2.HI.Zn/c1-7(9)10-8-5-3-2-4-6-8;;/h2-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyCYZILVDKWXOAOO-UHFFFAOYSA-M
XLogP-1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of zinc;phenyl acetate;iodide?
The IUPAC name of zinc;phenyl acetate;iodide (CID 73011099) is zinc;phenyl acetate;iodide.
What is the SMILES notation for zinc;phenyl acetate;iodide?
The canonical SMILES for zinc;phenyl acetate;iodide is CC(=O)Oc1[c-]cccc1.[I-].[Zn+2].
What is the InChIKey of zinc;phenyl acetate;iodide?
The InChIKey is CYZILVDKWXOAOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7O2.HI.Zn/c1-7(9)10-8-5-3-2-4-6-8;;/h2-5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;phenyl acetate;iodide?
zinc;phenyl acetate;iodide has a molecular weight of 327.44 g/mol, XLogP of -1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;phenyl acetate;iodide is sourced from PubChem (CID 73011099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).