magnesium;methanol;methylbenzene;hydrobromide

C8H12BrMgO+ — CID 173027237

IUPACmagnesium;methanol;methylbenzene;hydrobromide
SMILESBr.CO.Cc1c[c-]ccc1.[Mg+2]
InChIInChI=1S/C7H7.CH4O.BrH.Mg/c1-7-5-3-2-4-6-7;1-2;;/h2-3,5-6H,1H3;2H,1H3;1H;/q-1;;;+2
InChIKeyMFDOTRAUHCNEQC-UHFFFAOYSA-N
MW228.39 g/mol
LogP1.60
Rot. Bonds

About magnesium;methanol;methylbenzene;hydrobromide

magnesium;methanol;methylbenzene;hydrobromide (PubChem CID 173027237) has the molecular formula C8H12BrMgO+ and a molecular weight of 228.39 g/mol. Its IUPAC name is magnesium;methanol;methylbenzene;hydrobromide.

Molecular Properties

Compound Namemagnesium;methanol;methylbenzene;hydrobromide
PubChem CID173027237
Molecular FormulaC8H12BrMgO+
Molecular Weight228.39 g/mol
Exact Mass226.99
IUPAC Namemagnesium;methanol;methylbenzene;hydrobromide
SMILESBr.CO.Cc1c[c-]ccc1.[Mg+2]
InChIInChI=1S/C7H7.CH4O.BrH.Mg/c1-7-5-3-2-4-6-7;1-2;;/h2-3,5-6H,1H3;2H,1H3;1H;/q-1;;;+2
InChIKeyMFDOTRAUHCNEQC-UHFFFAOYSA-N
XLogP1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
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;methanol;methylbenzene;hydrobromide?
The IUPAC name of magnesium;methanol;methylbenzene;hydrobromide (CID 173027237) is magnesium;methanol;methylbenzene;hydrobromide.
What is the SMILES notation for magnesium;methanol;methylbenzene;hydrobromide?
The canonical SMILES for magnesium;methanol;methylbenzene;hydrobromide is Br.CO.Cc1c[c-]ccc1.[Mg+2].
What is the InChIKey of magnesium;methanol;methylbenzene;hydrobromide?
The InChIKey is MFDOTRAUHCNEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.CH4O.BrH.Mg/c1-7-5-3-2-4-6-7;1-2;;/h2-3,5-6H,1H3;2H,1H3;1H;/q-1;;;+2.
What are the key properties of magnesium;methanol;methylbenzene;hydrobromide?
magnesium;methanol;methylbenzene;hydrobromide has a molecular weight of 228.39 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methanol;methylbenzene;hydrobromide is sourced from PubChem (CID 173027237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).