magnesium;1-methoxy-3-methylbenzene-4-ide;bromide

C8H9BrMgO — CID 10933159

IUPACmagnesium;1-methoxy-3-methylbenzene-4-ide;bromide
SMILESCOc1cc[c-]c(C)c1.[Br-].[Mg+2]
InChIInChI=1S/C8H9O.BrH.Mg/c1-7-4-3-5-8(6-7)9-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRXSNLPFCJCJYQB-UHFFFAOYSA-M
MW225.37 g/mol
LogP-1.57
Rot. Bonds1

About magnesium;1-methoxy-3-methylbenzene-4-ide;bromide

magnesium;1-methoxy-3-methylbenzene-4-ide;bromide (PubChem CID 10933159) has the molecular formula C8H9BrMgO and a molecular weight of 225.37 g/mol. Its IUPAC name is magnesium;1-methoxy-3-methylbenzene-4-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-methoxy-3-methylbenzene-4-ide;bromide
PubChem CID10933159
Molecular FormulaC8H9BrMgO
Molecular Weight225.37 g/mol
Exact Mass223.97
IUPAC Namemagnesium;1-methoxy-3-methylbenzene-4-ide;bromide
SMILESCOc1cc[c-]c(C)c1.[Br-].[Mg+2]
InChIInChI=1S/C8H9O.BrH.Mg/c1-7-4-3-5-8(6-7)9-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRXSNLPFCJCJYQB-UHFFFAOYSA-M
XLogP-1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.37
LogP ≤ 5-1.57
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-methoxy-3-methylbenzene-4-ide;bromide?
The IUPAC name of magnesium;1-methoxy-3-methylbenzene-4-ide;bromide (CID 10933159) is magnesium;1-methoxy-3-methylbenzene-4-ide;bromide.
What is the SMILES notation for magnesium;1-methoxy-3-methylbenzene-4-ide;bromide?
The canonical SMILES for magnesium;1-methoxy-3-methylbenzene-4-ide;bromide is COc1cc[c-]c(C)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-methoxy-3-methylbenzene-4-ide;bromide?
The InChIKey is RXSNLPFCJCJYQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9O.BrH.Mg/c1-7-4-3-5-8(6-7)9-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methoxy-3-methylbenzene-4-ide;bromide?
magnesium;1-methoxy-3-methylbenzene-4-ide;bromide has a molecular weight of 225.37 g/mol, XLogP of -1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methoxy-3-methylbenzene-4-ide;bromide is sourced from PubChem (CID 10933159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).