methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate

C11H13BrO3 — CID 117434935

IUPACmethyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Br)ccc(C)c1C
InChIInChI=1S/C11H13BrO3/c1-6-4-5-8(12)9(7(6)2)10(13)11(14)15-3/h4-5,10,13H,1-3H3
InChIKeyVGCNMNKFRVCTJU-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.27
Rot. Bonds2

About methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate

methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate (PubChem CID 117434935) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate
PubChem CID117434935
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Namemethyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Br)ccc(C)c1C
InChIInChI=1S/C11H13BrO3/c1-6-4-5-8(12)9(7(6)2)10(13)11(14)15-3/h4-5,10,13H,1-3H3
InChIKeyVGCNMNKFRVCTJU-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate
CID 117439457
methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117470273
methyl 2-(4-bromo-2-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117490298
methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate
CID 117479158
ethyl 2-(3-bromo-2-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117487989
methyl (2S)-2-(2-bromo-6-methyl-3-phenylmethoxyphenyl)-2-hydroxyacetate
CID 131747944
methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
CID 117300134
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884
methyl 2-hydroxy-2-(5-methyl-1,3-benzodioxol-4-yl)acetate
CID 117321446
ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117490283
methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate
CID 117108701

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate (CID 117434935) is methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(Br)ccc(C)c1C.
What is the InChIKey of methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate?
The InChIKey is VGCNMNKFRVCTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-6-4-5-8(12)9(7(6)2)10(13)11(14)15-3/h4-5,10,13H,1-3H3.
What are the key properties of methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate?
methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate has a molecular weight of 273.13 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117434935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).