magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride

C12H12Cl2MgO5 — CID 173046400

IUPACmagnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride
SMILESCC(=CC(Oc1ccc(Cl)cc1Cl)C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H10Cl2O5.Mg.2H/c1-6(11(15)16)4-10(12(17)18)19-9-3-2-7(13)5-8(9)14;;;/h2-5,10H,1H3,(H,15,16)(H,17,18);;;/q;+2;2*-1
InChIKeyJIFUNMKPKCKILE-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.70
Rot. Bonds5

About magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride

magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride (PubChem CID 173046400) has the molecular formula C12H12Cl2MgO5 and a molecular weight of 331.43 g/mol. Its IUPAC name is magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride
PubChem CID173046400
Molecular FormulaC12H12Cl2MgO5
Molecular Weight331.43 g/mol
Exact Mass329.99
IUPAC Namemagnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride
SMILESCC(=CC(Oc1ccc(Cl)cc1Cl)C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H10Cl2O5.Mg.2H/c1-6(11(15)16)4-10(12(17)18)19-9-3-2-7(13)5-8(9)14;;;/h2-5,10H,1H3,(H,15,16)(H,17,18);;;/q;+2;2*-1
InChIKeyJIFUNMKPKCKILE-UHFFFAOYSA-N
XLogP2.70
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid
CID 67098274
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
CID 42233563
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
3-(2,4-dichlorophenoxy)but-2-enoic acid
CID 139622057
5-chloro-2-[2-(2,4-dichlorophenoxy)propanoyloxy]benzoic acid
CID 54855091
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242

Frequently Asked Questions

What is the IUPAC name of magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride?
The IUPAC name of magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride (CID 173046400) is magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride.
What is the SMILES notation for magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride?
The canonical SMILES for magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride is CC(=CC(Oc1ccc(Cl)cc1Cl)C(=O)O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride?
The InChIKey is JIFUNMKPKCKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O5.Mg.2H/c1-6(11(15)16)4-10(12(17)18)19-9-3-2-7(13)5-8(9)14;;;/h2-5,10H,1H3,(H,15,16)(H,17,18);;;/q;+2;2*-1.
What are the key properties of magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride?
magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride has a molecular weight of 331.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride is sourced from PubChem (CID 173046400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).