magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide

C9H11BrMgO — CID 133144444

IUPACmagnesium;1-ethoxy-2-methylbenzene-6-ide;bromide
SMILESCCOc1[c-]cccc1C.[Br-].[Mg+2]
InChIInChI=1S/C9H11O.BrH.Mg/c1-3-10-9-7-5-4-6-8(9)2;;/h4-6H,3H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyHQDGIZVBMIDQTJ-UHFFFAOYSA-M
MW239.39 g/mol
LogP-1.18
Rot. Bonds2

About magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide

magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide (PubChem CID 133144444) has the molecular formula C9H11BrMgO and a molecular weight of 239.39 g/mol. Its IUPAC name is magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-ethoxy-2-methylbenzene-6-ide;bromide
PubChem CID133144444
Molecular FormulaC9H11BrMgO
Molecular Weight239.39 g/mol
Exact Mass237.98
IUPAC Namemagnesium;1-ethoxy-2-methylbenzene-6-ide;bromide
SMILESCCOc1[c-]cccc1C.[Br-].[Mg+2]
InChIInChI=1S/C9H11O.BrH.Mg/c1-3-10-9-7-5-4-6-8(9)2;;/h4-6H,3H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyHQDGIZVBMIDQTJ-UHFFFAOYSA-M
XLogP-1.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide?
The IUPAC name of magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide (CID 133144444) is magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide?
The canonical SMILES for magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide is CCOc1[c-]cccc1C.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide?
The InChIKey is HQDGIZVBMIDQTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O.BrH.Mg/c1-3-10-9-7-5-4-6-8(9)2;;/h4-6H,3H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide?
magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide has a molecular weight of 239.39 g/mol, XLogP of -1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide is sourced from PubChem (CID 133144444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).