ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate

C11H13FO3 — CID 63648295

IUPACethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H13FO3/c1-3-15-11(14)10(13)8-5-4-7(2)9(12)6-8/h4-6,10,13H,3H2,1-2H3
InChIKeyWVIAOCQFSCILKD-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.73
Rot. Bonds3

About ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate

ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate (PubChem CID 63648295) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
PubChem CID63648295
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Nameethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H13FO3/c1-3-15-11(14)10(13)8-5-4-7(2)9(12)6-8/h4-6,10,13H,3H2,1-2H3
InChIKeyWVIAOCQFSCILKD-UHFFFAOYSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate
CID 117471883
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl 3-amino-3-(3-fluoro-4-methylphenyl)propanoate
CID 63644834
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117353289
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082
1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one
CID 83226180

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate (CID 63648295) is ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(C)c(F)c1.
What is the InChIKey of ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate?
The InChIKey is WVIAOCQFSCILKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-3-15-11(14)10(13)8-5-4-7(2)9(12)6-8/h4-6,10,13H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate?
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate has a molecular weight of 212.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 63648295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).