methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate

C10H10BrFO4 — CID 117472843

IUPACmethyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(F)cc(OC)c1Br
InChIInChI=1S/C10H10BrFO4/c1-15-7-4-5(12)3-6(8(7)11)9(13)10(14)16-2/h3-4,9,13H,1-2H3
InChIKeyJEOVUQYUERKZHN-UHFFFAOYSA-N
MW293.09 g/mol
LogP1.80
Rot. Bonds3

About methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate

methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117472843) has the molecular formula C10H10BrFO4 and a molecular weight of 293.09 g/mol. Its IUPAC name is methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate
PubChem CID117472843
Molecular FormulaC10H10BrFO4
Molecular Weight293.09 g/mol
Exact Mass291.97
IUPAC Namemethyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(F)cc(OC)c1Br
InChIInChI=1S/C10H10BrFO4/c1-15-7-4-5(12)3-6(8(7)11)9(13)10(14)16-2/h3-4,9,13H,1-2H3
InChIKeyJEOVUQYUERKZHN-UHFFFAOYSA-N
XLogP1.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884
methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate
CID 117331982
methyl 2-(5-bromo-2,4-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117495752
methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117493783
methyl 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117495753
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate
CID 117433363
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-hydroxy-2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)acetate
CID 117394404

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate (CID 117472843) is methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(F)cc(OC)c1Br.
What is the InChIKey of methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is JEOVUQYUERKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO4/c1-15-7-4-5(12)3-6(8(7)11)9(13)10(14)16-2/h3-4,9,13H,1-2H3.
What are the key properties of methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate?
methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 293.09 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117472843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).