magnesium 2-(4-chloro-2-methylphenoxy)propanoate

C10H10ClMgO3+ — CID 3015469

IUPACmagnesium 2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1OC(C)C(=O)[O-].[Mg+2]
InChIInChI=1S/C10H11ClO3.Mg/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+2/p-1
InChIKeyBXYDTYMGCDNYPV-UHFFFAOYSA-M
MW237.94 g/mol
LogP0.78
Rot. Bonds3

About magnesium 2-(4-chloro-2-methylphenoxy)propanoate

magnesium 2-(4-chloro-2-methylphenoxy)propanoate (PubChem CID 3015469) has the molecular formula C10H10ClMgO3+ and a molecular weight of 237.94 g/mol. Its IUPAC name is magnesium 2-(4-chloro-2-methylphenoxy)propanoate.

Molecular Properties

Compound Namemagnesium 2-(4-chloro-2-methylphenoxy)propanoate
PubChem CID3015469
Molecular FormulaC10H10ClMgO3+
Molecular Weight237.94 g/mol
Exact Mass237.02
IUPAC Namemagnesium 2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1OC(C)C(=O)[O-].[Mg+2]
InChIInChI=1S/C10H11ClO3.Mg/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+2/p-1
InChIKeyBXYDTYMGCDNYPV-UHFFFAOYSA-M
XLogP0.78
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.94
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
deuterio 2-(4-chloro-2-methylphenoxy)propanoate
CID 138402743
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
CID 47494461
(2S)-2-(2-methylphenoxy)propanoate
CID 6957172
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976

Frequently Asked Questions

What is the IUPAC name of magnesium 2-(4-chloro-2-methylphenoxy)propanoate?
The IUPAC name of magnesium 2-(4-chloro-2-methylphenoxy)propanoate (CID 3015469) is magnesium 2-(4-chloro-2-methylphenoxy)propanoate.
What is the SMILES notation for magnesium 2-(4-chloro-2-methylphenoxy)propanoate?
The canonical SMILES for magnesium 2-(4-chloro-2-methylphenoxy)propanoate is Cc1cc(Cl)ccc1OC(C)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium 2-(4-chloro-2-methylphenoxy)propanoate?
The InChIKey is BXYDTYMGCDNYPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11ClO3.Mg/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+2/p-1.
What are the key properties of magnesium 2-(4-chloro-2-methylphenoxy)propanoate?
magnesium 2-(4-chloro-2-methylphenoxy)propanoate has a molecular weight of 237.94 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-(4-chloro-2-methylphenoxy)propanoate is sourced from PubChem (CID 3015469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).