magnesium;propoxybenzene;bromide

C9H11BrMgO — CID 15647261

IUPACmagnesium;propoxybenzene;bromide
SMILESCCCOc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C9H11O.BrH.Mg/c1-2-8-10-9-6-4-3-5-7-9;;/h4-7H,2,8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyHJMCVKRVQNTXDH-UHFFFAOYSA-M
MW239.39 g/mol
LogP-1.10
Rot. Bonds3

About magnesium;propoxybenzene;bromide

magnesium;propoxybenzene;bromide (PubChem CID 15647261) has the molecular formula C9H11BrMgO and a molecular weight of 239.39 g/mol. Its IUPAC name is magnesium;propoxybenzene;bromide.

Molecular Properties

Compound Namemagnesium;propoxybenzene;bromide
PubChem CID15647261
Molecular FormulaC9H11BrMgO
Molecular Weight239.39 g/mol
Exact Mass237.98
IUPAC Namemagnesium;propoxybenzene;bromide
SMILESCCCOc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C9H11O.BrH.Mg/c1-2-8-10-9-6-4-3-5-7-9;;/h4-7H,2,8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyHJMCVKRVQNTXDH-UHFFFAOYSA-M
XLogP-1.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 5-1.10
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;propoxybenzene;bromide?
The IUPAC name of magnesium;propoxybenzene;bromide (CID 15647261) is magnesium;propoxybenzene;bromide.
What is the SMILES notation for magnesium;propoxybenzene;bromide?
The canonical SMILES for magnesium;propoxybenzene;bromide is CCCOc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;propoxybenzene;bromide?
The InChIKey is HJMCVKRVQNTXDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O.BrH.Mg/c1-2-8-10-9-6-4-3-5-7-9;;/h4-7H,2,8H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;propoxybenzene;bromide?
magnesium;propoxybenzene;bromide has a molecular weight of 239.39 g/mol, XLogP of -1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;propoxybenzene;bromide is sourced from PubChem (CID 15647261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).