magnesium;ethoxybenzene;bromide

C8H9BrMgO — CID 12617065

IUPACmagnesium;ethoxybenzene;bromide
SMILESCCOc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C8H9O.BrH.Mg/c1-2-9-8-6-4-3-5-7-8;;/h3-4,6-7H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyLLCLGYNQABOKLB-UHFFFAOYSA-M
MW225.37 g/mol
LogP-1.49
Rot. Bonds2

About magnesium;ethoxybenzene;bromide

magnesium;ethoxybenzene;bromide (PubChem CID 12617065) has the molecular formula C8H9BrMgO and a molecular weight of 225.37 g/mol. Its IUPAC name is magnesium;ethoxybenzene;bromide.

Molecular Properties

Compound Namemagnesium;ethoxybenzene;bromide
PubChem CID12617065
Molecular FormulaC8H9BrMgO
Molecular Weight225.37 g/mol
Exact Mass223.97
IUPAC Namemagnesium;ethoxybenzene;bromide
SMILESCCOc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C8H9O.BrH.Mg/c1-2-9-8-6-4-3-5-7-8;;/h3-4,6-7H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyLLCLGYNQABOKLB-UHFFFAOYSA-M
XLogP-1.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.37
LogP ≤ 5-1.49
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;ethoxybenzene;bromide?
The IUPAC name of magnesium;ethoxybenzene;bromide (CID 12617065) is magnesium;ethoxybenzene;bromide.
What is the SMILES notation for magnesium;ethoxybenzene;bromide?
The canonical SMILES for magnesium;ethoxybenzene;bromide is CCOc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;ethoxybenzene;bromide?
The InChIKey is LLCLGYNQABOKLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9O.BrH.Mg/c1-2-9-8-6-4-3-5-7-8;;/h3-4,6-7H,2H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;ethoxybenzene;bromide?
magnesium;ethoxybenzene;bromide has a molecular weight of 225.37 g/mol, XLogP of -1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethoxybenzene;bromide is sourced from PubChem (CID 12617065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).