magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid

C10H12MgO3 — CID 173177679

IUPACmagnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1ccc(O)cc1)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H10O3.Mg.2H/c1-7(10(12)13)6-8-2-4-9(11)5-3-8;;;/h2-6,11H,1H3,(H,12,13);;;/q;+2;2*-1
InChIKeyHYXFIDVKVOXFHG-UHFFFAOYSA-N
MW204.51 g/mol
LogP1.72
Rot. Bonds2

About magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid

magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid (PubChem CID 173177679) has the molecular formula C10H12MgO3 and a molecular weight of 204.51 g/mol. Its IUPAC name is magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Namemagnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
PubChem CID173177679
Molecular FormulaC10H12MgO3
Molecular Weight204.51 g/mol
Exact Mass204.06
IUPAC Namemagnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1ccc(O)cc1)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H10O3.Mg.2H/c1-7(10(12)13)6-8-2-4-9(11)5-3-8;;;/h2-6,11H,1H3,(H,12,13);;;/q;+2;2*-1
InChIKeyHYXFIDVKVOXFHG-UHFFFAOYSA-N
XLogP1.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.51
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid
CID 6312944
3-(4-acetylphenyl)-2-methylprop-2-enoic acid
CID 67022362
(E)-3-(4-chlorophenyl)-2-methylprop-2-enoic acid;ethane
CID 156638476
(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]-2-methylprop-2-enoic acid
CID 170873087
3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid
CID 79725913
3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 67022405
(E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide
CID 118606325
(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid
CID 55255959
2-[(4-hydroxyphenyl)methylidene]propanedioic acid
CID 519420
2-methyl-3-(4-methylsulfinylphenyl)prop-2-enoic acid
CID 70464534
3-(4-anilinophenyl)-2-methylprop-2-enoic acid
CID 54444662

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid (CID 173177679) is magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid is CC(=Cc1ccc(O)cc1)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid?
The InChIKey is HYXFIDVKVOXFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.Mg.2H/c1-7(10(12)13)6-8-2-4-9(11)5-3-8;;;/h2-6,11H,1H3,(H,12,13);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid?
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid has a molecular weight of 204.51 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 173177679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).