methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate

C11H13BrO3 — CID 15881479

IUPACmethyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(CO)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO3/c1-11(7-13,10(14)15-2)8-3-5-9(12)6-4-8/h3-6,13H,7H2,1-2H3
InChIKeyUPJKGZRNMYTKFT-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.87
Rot. Bonds3

About methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate

methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate (PubChem CID 15881479) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate
PubChem CID15881479
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Namemethyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(CO)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO3/c1-11(7-13,10(14)15-2)8-3-5-9(12)6-4-8/h3-6,13H,7H2,1-2H3
InChIKeyUPJKGZRNMYTKFT-UHFFFAOYSA-N
XLogP1.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 21348092
methyl 2-amino-2-(4-bromophenyl)butanoate
CID 60795428
methyl 2-(4-bromophenyl)-2-(methylamino)butanoate
CID 60787393
methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate
CID 86811738
methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate
CID 10595796
methyl 2-methyl-2-phenylbutanoate
CID 562613
diethyl 2-(4-bromophenyl)-2-(hydroxymethyl)propanedioate
CID 170992989
methyl 3-(4-bromophenyl)-2,4-dihydroxy-3-phenylbutanoate
CID 70277013
methyl 2-[(4-bromophenyl)sulfonylamino]-2-methylpropanoate
CID 60744572
methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride
CID 56972079
1-bromo-4-(1,1-dimethoxyethyl)benzene
CID 10911782
methyl 4-amino-2-(3-bromophenyl)-2-methylbutanoate
CID 158531044

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate (CID 15881479) is methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate is COC(=O)C(C)(CO)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate?
The InChIKey is UPJKGZRNMYTKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-11(7-13,10(14)15-2)8-3-5-9(12)6-4-8/h3-6,13H,7H2,1-2H3.
What are the key properties of methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate?
methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate has a molecular weight of 273.13 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 15881479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).