magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide

C10H11BrMgO — CID 156847219

IUPACmagnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
SMILES[Br-].[CH2-]Cc1ccc2c(c1)CCO2.[Mg+2]
InChIInChI=1S/C10H11O.BrH.Mg/c1-2-8-3-4-10-9(7-8)5-6-11-10;;/h3-4,7H,1-2,5-6H2;1H;/q-1;;+2/p-1
InChIKeyLFKJICRIKDIHTJ-UHFFFAOYSA-M
MW251.41 g/mol
LogP-1.38
Rot. Bonds1

About magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide

magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide (PubChem CID 156847219) has the molecular formula C10H11BrMgO and a molecular weight of 251.41 g/mol. Its IUPAC name is magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide.

Molecular Properties

Compound Namemagnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
PubChem CID156847219
Molecular FormulaC10H11BrMgO
Molecular Weight251.41 g/mol
Exact Mass249.98
IUPAC Namemagnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
SMILES[Br-].[CH2-]Cc1ccc2c(c1)CCO2.[Mg+2]
InChIInChI=1S/C10H11O.BrH.Mg/c1-2-8-3-4-10-9(7-8)5-6-11-10;;/h3-4,7H,1-2,5-6H2;1H;/q-1;;+2/p-1
InChIKeyLFKJICRIKDIHTJ-UHFFFAOYSA-M
XLogP-1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 5-1.38
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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Related Compounds

5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran
CID 104545326
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219

Frequently Asked Questions

What is the IUPAC name of magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide?
The IUPAC name of magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide (CID 156847219) is magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide.
What is the SMILES notation for magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide?
The canonical SMILES for magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide is [Br-].[CH2-]Cc1ccc2c(c1)CCO2.[Mg+2].
What is the InChIKey of magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide?
The InChIKey is LFKJICRIKDIHTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11O.BrH.Mg/c1-2-8-3-4-10-9(7-8)5-6-11-10;;/h3-4,7H,1-2,5-6H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide?
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide has a molecular weight of 251.41 g/mol, XLogP of -1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide is sourced from PubChem (CID 156847219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).