methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate

C11H13FO3 — CID 117302719

IUPACmethyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(C)cc(C)c1F
InChIInChI=1S/C11H13FO3/c1-6-4-7(2)9(12)8(5-6)10(13)11(14)15-3/h4-5,10,13H,1-3H3
InChIKeyJORMEPKCNGMJON-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.65
Rot. Bonds2

About methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate

methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate (PubChem CID 117302719) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
PubChem CID117302719
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Namemethyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(C)cc(C)c1F
InChIInChI=1S/C11H13FO3/c1-6-4-7(2)9(12)8(5-6)10(13)11(14)15-3/h4-5,10,13H,1-3H3
InChIKeyJORMEPKCNGMJON-UHFFFAOYSA-N
XLogP1.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
1-(2-fluoro-3,5-dimethylphenyl)ethanol
CID 83988897
methyl 2-(4,5-dimethyl-2-methylsulfanylphenyl)-2-hydroxyacetate
CID 117353748
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl 2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate
CID 117344142
methyl 2-(5-bromo-2,4-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117495752
methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
CID 117332045
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
dimethyl 2-(2,4,6-trimethylphenyl)propanedioate
CID 2786932
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate
CID 130900213
methyl 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117495753

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate (CID 117302719) is methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(C)cc(C)c1F.
What is the InChIKey of methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate?
The InChIKey is JORMEPKCNGMJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-6-4-7(2)9(12)8(5-6)10(13)11(14)15-3/h4-5,10,13H,1-3H3.
What are the key properties of methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate?
methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate has a molecular weight of 212.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117302719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).