zinc;1-phenylethanone;chloride

C8H7ClOZn — CID 159964610

IUPACzinc;1-phenylethanone;chloride
SMILESCC(=O)c1cc[c-]cc1.[Cl-].[Zn+2]
InChIInChI=1S/C8H7O.ClH.Zn/c1-7(9)8-5-3-2-4-6-8;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyIGFUBPOZAMFNGR-UHFFFAOYSA-M
MW219.99 g/mol
LogP-1.31
Rot. Bonds1

About zinc;1-phenylethanone;chloride

zinc;1-phenylethanone;chloride (PubChem CID 159964610) has the molecular formula C8H7ClOZn and a molecular weight of 219.99 g/mol. Its IUPAC name is zinc;1-phenylethanone;chloride.

Molecular Properties

Compound Namezinc;1-phenylethanone;chloride
PubChem CID159964610
Molecular FormulaC8H7ClOZn
Molecular Weight219.99 g/mol
Exact Mass217.95
IUPAC Namezinc;1-phenylethanone;chloride
SMILESCC(=O)c1cc[c-]cc1.[Cl-].[Zn+2]
InChIInChI=1S/C8H7O.ClH.Zn/c1-7(9)8-5-3-2-4-6-8;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyIGFUBPOZAMFNGR-UHFFFAOYSA-M
XLogP-1.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.99
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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butane;1-pyridin-4-ylethanone
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benzene;1-(3-bromobenzene-4-id-1-yl)ethanone;tungsten(2+)
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4-acetyl(11C)benzoic acid
CID 11205952
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
potassium 1-phenylethanone
CID 19980201

Frequently Asked Questions

What is the IUPAC name of zinc;1-phenylethanone;chloride?
The IUPAC name of zinc;1-phenylethanone;chloride (CID 159964610) is zinc;1-phenylethanone;chloride.
What is the SMILES notation for zinc;1-phenylethanone;chloride?
The canonical SMILES for zinc;1-phenylethanone;chloride is CC(=O)c1cc[c-]cc1.[Cl-].[Zn+2].
What is the InChIKey of zinc;1-phenylethanone;chloride?
The InChIKey is IGFUBPOZAMFNGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7O.ClH.Zn/c1-7(9)8-5-3-2-4-6-8;;/h3-6H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;1-phenylethanone;chloride?
zinc;1-phenylethanone;chloride has a molecular weight of 219.99 g/mol, XLogP of -1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-phenylethanone;chloride is sourced from PubChem (CID 159964610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).