magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide

C10H12BrClMgO2 — CID 91655183

IUPACmagnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide
SMILESCCOCCOc1[c-]cc(Cl)cc1.[Br-].[Mg+2]
InChIInChI=1S/C10H12ClO2.BrH.Mg/c1-2-12-7-8-13-10-5-3-9(11)4-6-10;;/h3-5H,2,7-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyVCURHSXEABAQKX-UHFFFAOYSA-M
MW303.87 g/mol
LogP-0.82
Rot. Bonds5

About magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide

magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide (PubChem CID 91655183) has the molecular formula C10H12BrClMgO2 and a molecular weight of 303.87 g/mol. Its IUPAC name is magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide
PubChem CID91655183
Molecular FormulaC10H12BrClMgO2
Molecular Weight303.87 g/mol
Exact Mass301.96
IUPAC Namemagnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide
SMILESCCOCCOc1[c-]cc(Cl)cc1.[Br-].[Mg+2]
InChIInChI=1S/C10H12ClO2.BrH.Mg/c1-2-12-7-8-13-10-5-3-9(11)4-6-10;;/h3-5H,2,7-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyVCURHSXEABAQKX-UHFFFAOYSA-M
XLogP-0.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.87
LogP ≤ 5-0.82
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'}

Analyze magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide 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

CID 10911231
CID 10911231
CID 11140221
CID 11140221
CID 12617065
CID 12617065
CID 15971231
CID 15971231
CID 15973609
CID 15973609
CID 54687363
CID 54687363
CID 12820695
CID 12820695
CID 129878735
CID 129878735
CID 13302533
CID 13302533
CID 14357812
CID 14357812
CID 15647261
CID 15647261
CID 23624402
CID 23624402

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide?
The IUPAC name of magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide (CID 91655183) is magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide.
What is the SMILES notation for magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide?
The canonical SMILES for magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide is CCOCCOc1[c-]cc(Cl)cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide?
The InChIKey is VCURHSXEABAQKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12ClO2.BrH.Mg/c1-2-12-7-8-13-10-5-3-9(11)4-6-10;;/h3-5H,2,7-8H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide?
magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide has a molecular weight of 303.87 g/mol, XLogP of -0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-4-(2-ethoxyethoxy)benzene-5-ide;bromide is sourced from PubChem (CID 91655183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).