bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide

C9H11BrO2Zn — CID 133144550

IUPACbromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide
SMILESCOc1[c-]c(C)cc(OC)c1.[Zn+]Br
InChIInChI=1S/C9H11O2.BrH.Zn/c1-7-4-8(10-2)6-9(5-7)11-3;;/h4,6H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyNFCBPMLIPXNXIZ-UHFFFAOYSA-M
MW296.48 g/mol
LogP2.66
Rot. Bonds2

About bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide

bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide (PubChem CID 133144550) has the molecular formula C9H11BrO2Zn and a molecular weight of 296.48 g/mol. Its IUPAC name is bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide.

Molecular Properties

Compound Namebromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide
PubChem CID133144550
Molecular FormulaC9H11BrO2Zn
Molecular Weight296.48 g/mol
Exact Mass293.92
IUPAC Namebromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide
SMILESCOc1[c-]c(C)cc(OC)c1.[Zn+]Br
InChIInChI=1S/C9H11O2.BrH.Zn/c1-7-4-8(10-2)6-9(5-7)11-3;;/h4,6H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyNFCBPMLIPXNXIZ-UHFFFAOYSA-M
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.66
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'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide?
The IUPAC name of bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide (CID 133144550) is bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide.
What is the SMILES notation for bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide?
The canonical SMILES for bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide is COc1[c-]c(C)cc(OC)c1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide?
The InChIKey is NFCBPMLIPXNXIZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O2.BrH.Zn/c1-7-4-8(10-2)6-9(5-7)11-3;;/h4,6H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide?
bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide has a molecular weight of 296.48 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide is sourced from PubChem (CID 133144550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).