magnesium;3-tert-butylphenolate;bromide

C10H13BrMgO — CID 12913334

IUPACmagnesium;3-tert-butylphenolate;bromide
SMILESCC(C)(C)c1cccc([O-])c1.[Br-].[Mg+2]
InChIInChI=1S/C10H14O.BrH.Mg/c1-10(2,3)8-5-4-6-9(11)7-8;;/h4-7,11H,1-3H3;1H;/q;;+2/p-2
InChIKeyJHIBIVRJHJEGTO-UHFFFAOYSA-L
MW253.42 g/mol
LogP-1.32
Rot. Bonds

About magnesium;3-tert-butylphenolate;bromide

magnesium;3-tert-butylphenolate;bromide (PubChem CID 12913334) has the molecular formula C10H13BrMgO and a molecular weight of 253.42 g/mol. Its IUPAC name is magnesium;3-tert-butylphenolate;bromide.

Molecular Properties

Compound Namemagnesium;3-tert-butylphenolate;bromide
PubChem CID12913334
Molecular FormulaC10H13BrMgO
Molecular Weight253.42 g/mol
Exact Mass252.00
IUPAC Namemagnesium;3-tert-butylphenolate;bromide
SMILESCC(C)(C)c1cccc([O-])c1.[Br-].[Mg+2]
InChIInChI=1S/C10H14O.BrH.Mg/c1-10(2,3)8-5-4-6-9(11)7-8;;/h4-7,11H,1-3H3;1H;/q;;+2/p-2
InChIKeyJHIBIVRJHJEGTO-UHFFFAOYSA-L
XLogP-1.32
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of magnesium;3-tert-butylphenolate;bromide?
The IUPAC name of magnesium;3-tert-butylphenolate;bromide (CID 12913334) is magnesium;3-tert-butylphenolate;bromide.
What is the SMILES notation for magnesium;3-tert-butylphenolate;bromide?
The canonical SMILES for magnesium;3-tert-butylphenolate;bromide is CC(C)(C)c1cccc([O-])c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;3-tert-butylphenolate;bromide?
The InChIKey is JHIBIVRJHJEGTO-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14O.BrH.Mg/c1-10(2,3)8-5-4-6-9(11)7-8;;/h4-7,11H,1-3H3;1H;/q;;+2/p-2.
What are the key properties of magnesium;3-tert-butylphenolate;bromide?
magnesium;3-tert-butylphenolate;bromide has a molecular weight of 253.42 g/mol, XLogP of -1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-tert-butylphenolate;bromide is sourced from PubChem (CID 12913334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).