magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide

C10H13BrMgO — CID 134892734

IUPACmagnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide
SMILESCOc1c(C)[c-]c(C)cc1C.[Br-].[Mg+2]
InChIInChI=1S/C10H13O.BrH.Mg/c1-7-5-8(2)10(11-4)9(3)6-7;;/h5H,1-4H3;1H;/q-1;;+2/p-1
InChIKeyBBHOQFMIGDZULN-UHFFFAOYSA-M
MW253.42 g/mol
LogP-0.96
Rot. Bonds1

About magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide

magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide (PubChem CID 134892734) has the molecular formula C10H13BrMgO and a molecular weight of 253.42 g/mol. Its IUPAC name is magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide
PubChem CID134892734
Molecular FormulaC10H13BrMgO
Molecular Weight253.42 g/mol
Exact Mass252.00
IUPAC Namemagnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide
SMILESCOc1c(C)[c-]c(C)cc1C.[Br-].[Mg+2]
InChIInChI=1S/C10H13O.BrH.Mg/c1-7-5-8(2)10(11-4)9(3)6-7;;/h5H,1-4H3;1H;/q-1;;+2/p-1
InChIKeyBBHOQFMIGDZULN-UHFFFAOYSA-M
XLogP-0.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 5-0.96
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;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide?
The IUPAC name of magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide (CID 134892734) is magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide.
What is the SMILES notation for magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide?
The canonical SMILES for magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide is COc1c(C)[c-]c(C)cc1C.[Br-].[Mg+2].
What is the InChIKey of magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide?
The InChIKey is BBHOQFMIGDZULN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13O.BrH.Mg/c1-7-5-8(2)10(11-4)9(3)6-7;;/h5H,1-4H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide?
magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide has a molecular weight of 253.42 g/mol, XLogP of -0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide is sourced from PubChem (CID 134892734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).