bromozinc(1+);1-methoxy-2-methylbenzene-5-ide

C8H9BrOZn — CID 133144745

IUPACbromozinc(1+);1-methoxy-2-methylbenzene-5-ide
SMILESCOc1c[c-]ccc1C.[Zn+]Br
InChIInChI=1S/C8H9O.BrH.Zn/c1-7-5-3-4-6-8(7)9-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyAWKKNHUTZLPMRZ-UHFFFAOYSA-M
MW266.45 g/mol
LogP2.65
Rot. Bonds1

About bromozinc(1+);1-methoxy-2-methylbenzene-5-ide

bromozinc(1+);1-methoxy-2-methylbenzene-5-ide (PubChem CID 133144745) has the molecular formula C8H9BrOZn and a molecular weight of 266.45 g/mol. Its IUPAC name is bromozinc(1+);1-methoxy-2-methylbenzene-5-ide.

Molecular Properties

Compound Namebromozinc(1+);1-methoxy-2-methylbenzene-5-ide
PubChem CID133144745
Molecular FormulaC8H9BrOZn
Molecular Weight266.45 g/mol
Exact Mass263.91
IUPAC Namebromozinc(1+);1-methoxy-2-methylbenzene-5-ide
SMILESCOc1c[c-]ccc1C.[Zn+]Br
InChIInChI=1S/C8H9O.BrH.Zn/c1-7-5-3-4-6-8(7)9-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyAWKKNHUTZLPMRZ-UHFFFAOYSA-M
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-methoxy-2-methylbenzene-5-ide?
The IUPAC name of bromozinc(1+);1-methoxy-2-methylbenzene-5-ide (CID 133144745) is bromozinc(1+);1-methoxy-2-methylbenzene-5-ide.
What is the SMILES notation for bromozinc(1+);1-methoxy-2-methylbenzene-5-ide?
The canonical SMILES for bromozinc(1+);1-methoxy-2-methylbenzene-5-ide is COc1c[c-]ccc1C.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-methoxy-2-methylbenzene-5-ide?
The InChIKey is AWKKNHUTZLPMRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9O.BrH.Zn/c1-7-5-3-4-6-8(7)9-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-methoxy-2-methylbenzene-5-ide?
bromozinc(1+);1-methoxy-2-methylbenzene-5-ide has a molecular weight of 266.45 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-methoxy-2-methylbenzene-5-ide is sourced from PubChem (CID 133144745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).