bromozinc(1+);1-methyl-3-propoxybenzene-6-ide

C10H13BrOZn — CID 133144688

IUPACbromozinc(1+);1-methyl-3-propoxybenzene-6-ide
SMILESCCCOc1cc[c-]c(C)c1.[Zn+]Br
InChIInChI=1S/C10H13O.BrH.Zn/c1-3-7-11-10-6-4-5-9(2)8-10;;/h4,6,8H,3,7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyOZNLGMKVJOUIPM-UHFFFAOYSA-M
MW294.51 g/mol
LogP3.43
Rot. Bonds3

About bromozinc(1+);1-methyl-3-propoxybenzene-6-ide

bromozinc(1+);1-methyl-3-propoxybenzene-6-ide (PubChem CID 133144688) has the molecular formula C10H13BrOZn and a molecular weight of 294.51 g/mol. Its IUPAC name is bromozinc(1+);1-methyl-3-propoxybenzene-6-ide.

Molecular Properties

Compound Namebromozinc(1+);1-methyl-3-propoxybenzene-6-ide
PubChem CID133144688
Molecular FormulaC10H13BrOZn
Molecular Weight294.51 g/mol
Exact Mass291.94
IUPAC Namebromozinc(1+);1-methyl-3-propoxybenzene-6-ide
SMILESCCCOc1cc[c-]c(C)c1.[Zn+]Br
InChIInChI=1S/C10H13O.BrH.Zn/c1-3-7-11-10-6-4-5-9(2)8-10;;/h4,6,8H,3,7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyOZNLGMKVJOUIPM-UHFFFAOYSA-M
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.43
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-methyl-3-propoxybenzene-6-ide?
The IUPAC name of bromozinc(1+);1-methyl-3-propoxybenzene-6-ide (CID 133144688) is bromozinc(1+);1-methyl-3-propoxybenzene-6-ide.
What is the SMILES notation for bromozinc(1+);1-methyl-3-propoxybenzene-6-ide?
The canonical SMILES for bromozinc(1+);1-methyl-3-propoxybenzene-6-ide is CCCOc1cc[c-]c(C)c1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-methyl-3-propoxybenzene-6-ide?
The InChIKey is OZNLGMKVJOUIPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13O.BrH.Zn/c1-3-7-11-10-6-4-5-9(2)8-10;;/h4,6,8H,3,7H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-methyl-3-propoxybenzene-6-ide?
bromozinc(1+);1-methyl-3-propoxybenzene-6-ide has a molecular weight of 294.51 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-methyl-3-propoxybenzene-6-ide is sourced from PubChem (CID 133144688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).