magnesium;methanidylbenzene;methanol;hydrobromide

C8H12BrMgO+ — CID 173082711

IUPACmagnesium;methanidylbenzene;methanol;hydrobromide
SMILESBr.CO.[CH2-]c1ccccc1.[Mg+2]
InChIInChI=1S/C7H7.CH4O.BrH.Mg/c1-7-5-3-2-4-6-7;1-2;;/h2-6H,1H2;2H,1H3;1H;/q-1;;;+2
InChIKeyPSHLTBDRPFUCOR-UHFFFAOYSA-N
MW228.39 g/mol
LogP1.67
Rot. Bonds

About magnesium;methanidylbenzene;methanol;hydrobromide

magnesium;methanidylbenzene;methanol;hydrobromide (PubChem CID 173082711) has the molecular formula C8H12BrMgO+ and a molecular weight of 228.39 g/mol. Its IUPAC name is magnesium;methanidylbenzene;methanol;hydrobromide.

Molecular Properties

Compound Namemagnesium;methanidylbenzene;methanol;hydrobromide
PubChem CID173082711
Molecular FormulaC8H12BrMgO+
Molecular Weight228.39 g/mol
Exact Mass226.99
IUPAC Namemagnesium;methanidylbenzene;methanol;hydrobromide
SMILESBr.CO.[CH2-]c1ccccc1.[Mg+2]
InChIInChI=1S/C7H7.CH4O.BrH.Mg/c1-7-5-3-2-4-6-7;1-2;;/h2-6H,1H2;2H,1H3;1H;/q-1;;;+2
InChIKeyPSHLTBDRPFUCOR-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;methanidylbenzene;methanol;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;methanidylbenzene;hydrochloride
CID 175590637
magnesium;zinc;methanidylbenzene;trichloride
CID 174749410
magnesium;azane;methanidylbenzene;chloride
CID 172690401
methanidylbenzene;uranium(2+)
CID 20736562
hafnium;methanidylbenzene
CID 57417385
methanidylbenzene;zinc
CID 57471618
magnesium;ethanol;methanidylbenzene
CID 87590211
fluoromethane;methanidylbenzene;yttrium
CID 160646799
sodium;acetic acid;methanidylbenzene
CID 89310900
ethanol;methanidylbenzene;titanium(3+)
CID 18314916
CID 172832210
CID 172832210
iron;methanidylbenzene;hydrate
CID 174771538

Frequently Asked Questions

What is the IUPAC name of magnesium;methanidylbenzene;methanol;hydrobromide?
The IUPAC name of magnesium;methanidylbenzene;methanol;hydrobromide (CID 173082711) is magnesium;methanidylbenzene;methanol;hydrobromide.
What is the SMILES notation for magnesium;methanidylbenzene;methanol;hydrobromide?
The canonical SMILES for magnesium;methanidylbenzene;methanol;hydrobromide is Br.CO.[CH2-]c1ccccc1.[Mg+2].
What is the InChIKey of magnesium;methanidylbenzene;methanol;hydrobromide?
The InChIKey is PSHLTBDRPFUCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.CH4O.BrH.Mg/c1-7-5-3-2-4-6-7;1-2;;/h2-6H,1H2;2H,1H3;1H;/q-1;;;+2.
What are the key properties of magnesium;methanidylbenzene;methanol;hydrobromide?
magnesium;methanidylbenzene;methanol;hydrobromide has a molecular weight of 228.39 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methanidylbenzene;methanol;hydrobromide is sourced from PubChem (CID 173082711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).