chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide

C9H11ClO2Zn — CID 58610669

IUPACchlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide
SMILESCOCOc1[c-]cccc1C.Cl[Zn+]
InChIInChI=1S/C9H11O2.ClH.Zn/c1-8-5-3-4-6-9(8)11-7-10-2;;/h3-5H,7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyVQUWDSOOPLXNPY-UHFFFAOYSA-M
MW252.03 g/mol
LogP2.46
Rot. Bonds3

About chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide

chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide (PubChem CID 58610669) has the molecular formula C9H11ClO2Zn and a molecular weight of 252.03 g/mol. Its IUPAC name is chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide.

Molecular Properties

Compound Namechlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide
PubChem CID58610669
Molecular FormulaC9H11ClO2Zn
Molecular Weight252.03 g/mol
Exact Mass249.97
IUPAC Namechlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide
SMILESCOCOc1[c-]cccc1C.Cl[Zn+]
InChIInChI=1S/C9H11O2.ClH.Zn/c1-8-5-3-4-6-9(8)11-7-10-2;;/h3-5H,7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyVQUWDSOOPLXNPY-UHFFFAOYSA-M
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.03
LogP ≤ 52.46
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide?
The IUPAC name of chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide (CID 58610669) is chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide.
What is the SMILES notation for chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide?
The canonical SMILES for chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide is COCOc1[c-]cccc1C.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide?
The InChIKey is VQUWDSOOPLXNPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O2.ClH.Zn/c1-8-5-3-4-6-9(8)11-7-10-2;;/h3-5H,7H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide?
chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide has a molecular weight of 252.03 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);1-(methoxymethoxy)-2-methylbenzene-6-ide is sourced from PubChem (CID 58610669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).