magnesium;2-ethylphenol;chloride

C8H10ClMgO+ — CID 173391731

IUPACmagnesium;2-ethylphenol;chloride
SMILESCCc1ccccc1O.[Cl-].[Mg+2]
InChIInChI=1S/C8H10O.ClH.Mg/c1-2-7-5-3-4-6-8(7)9;;/h3-6,9H,2H2,1H3;1H;/q;;+2/p-1
InChIKeyOKHRXVGDFLWMBY-UHFFFAOYSA-M
MW181.93 g/mol
LogP-1.42
Rot. Bonds1

About magnesium;2-ethylphenol;chloride

magnesium;2-ethylphenol;chloride (PubChem CID 173391731) has the molecular formula C8H10ClMgO+ and a molecular weight of 181.93 g/mol. Its IUPAC name is magnesium;2-ethylphenol;chloride.

Molecular Properties

Compound Namemagnesium;2-ethylphenol;chloride
PubChem CID173391731
Molecular FormulaC8H10ClMgO+
Molecular Weight181.93 g/mol
Exact Mass181.03
IUPAC Namemagnesium;2-ethylphenol;chloride
SMILESCCc1ccccc1O.[Cl-].[Mg+2]
InChIInChI=1S/C8H10O.ClH.Mg/c1-2-7-5-3-4-6-8(7)9;;/h3-6,9H,2H2,1H3;1H;/q;;+2/p-1
InChIKeyOKHRXVGDFLWMBY-UHFFFAOYSA-M
XLogP-1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.93
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-ethylphenol;chloride?
The IUPAC name of magnesium;2-ethylphenol;chloride (CID 173391731) is magnesium;2-ethylphenol;chloride.
What is the SMILES notation for magnesium;2-ethylphenol;chloride?
The canonical SMILES for magnesium;2-ethylphenol;chloride is CCc1ccccc1O.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-ethylphenol;chloride?
The InChIKey is OKHRXVGDFLWMBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O.ClH.Mg/c1-2-7-5-3-4-6-8(7)9;;/h3-6,9H,2H2,1H3;1H;/q;;+2/p-1.
What are the key properties of magnesium;2-ethylphenol;chloride?
magnesium;2-ethylphenol;chloride has a molecular weight of 181.93 g/mol, XLogP of -1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-ethylphenol;chloride is sourced from PubChem (CID 173391731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).