magnesium;3-methoxypropoxymethylbenzene;bromide

C11H15BrMgO2 — CID 91656942

IUPACmagnesium;3-methoxypropoxymethylbenzene;bromide
SMILESCOCCCOCc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C11H15O2.BrH.Mg/c1-12-8-5-9-13-10-11-6-3-2-4-7-11;;/h2-3,6-7H,5,8-10H2,1H3;1H;/q-1;;+2/p-1
InChIKeyIIZLFSPXFOIULJ-UHFFFAOYSA-M
MW283.45 g/mol
LogP-1.34
Rot. Bonds6

About magnesium;3-methoxypropoxymethylbenzene;bromide

magnesium;3-methoxypropoxymethylbenzene;bromide (PubChem CID 91656942) has the molecular formula C11H15BrMgO2 and a molecular weight of 283.45 g/mol. Its IUPAC name is magnesium;3-methoxypropoxymethylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;3-methoxypropoxymethylbenzene;bromide
PubChem CID91656942
Molecular FormulaC11H15BrMgO2
Molecular Weight283.45 g/mol
Exact Mass282.01
IUPAC Namemagnesium;3-methoxypropoxymethylbenzene;bromide
SMILESCOCCCOCc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C11H15O2.BrH.Mg/c1-12-8-5-9-13-10-11-6-3-2-4-7-11;;/h2-3,6-7H,5,8-10H2,1H3;1H;/q-1;;+2/p-1
InChIKeyIIZLFSPXFOIULJ-UHFFFAOYSA-M
XLogP-1.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.45
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 91655374
magnesium;methoxymethoxymethylbenzene;bromide
CID 15973074
bromozinc(1+);2-fluoroethoxymethylbenzene
CID 133144856
1-ethyl-4-(3-methoxypropoxymethyl)benzene
CID 160710352
1-bromo-3-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179398
4-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile
CID 103177611
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
CID 162563157
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
CID 103406557
N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62441668

Frequently Asked Questions

What is the IUPAC name of magnesium;3-methoxypropoxymethylbenzene;bromide?
The IUPAC name of magnesium;3-methoxypropoxymethylbenzene;bromide (CID 91656942) is magnesium;3-methoxypropoxymethylbenzene;bromide.
What is the SMILES notation for magnesium;3-methoxypropoxymethylbenzene;bromide?
The canonical SMILES for magnesium;3-methoxypropoxymethylbenzene;bromide is COCCCOCc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;3-methoxypropoxymethylbenzene;bromide?
The InChIKey is IIZLFSPXFOIULJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O2.BrH.Mg/c1-12-8-5-9-13-10-11-6-3-2-4-7-11;;/h2-3,6-7H,5,8-10H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-methoxypropoxymethylbenzene;bromide?
magnesium;3-methoxypropoxymethylbenzene;bromide has a molecular weight of 283.45 g/mol, XLogP of -1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-methoxypropoxymethylbenzene;bromide is sourced from PubChem (CID 91656942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).