ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate

C11H12F2O4 — CID 117367196

IUPACethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(F)ccc(OC)c1F
InChIInChI=1S/C11H12F2O4/c1-3-17-11(15)10(14)8-6(12)4-5-7(16-2)9(8)13/h4-5,10,14H,3H2,1-2H3
InChIKeyGWPKQSYITIZCAN-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.57
Rot. Bonds4

About ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate

ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117367196) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
PubChem CID117367196
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Nameethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(F)ccc(OC)c1F
InChIInChI=1S/C11H12F2O4/c1-3-17-11(15)10(14)8-6(12)4-5-7(16-2)9(8)13/h4-5,10,14H,3H2,1-2H3
InChIKeyGWPKQSYITIZCAN-UHFFFAOYSA-N
XLogP1.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117398829
ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210
ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117404297
ethyl (3S)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoate
CID 171235397
ethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398911
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
(3R)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 124514694
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine;hydrochloride
CID 171235359
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate
CID 117496369
ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117490283

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate (CID 117367196) is ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1c(F)ccc(OC)c1F.
What is the InChIKey of ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is GWPKQSYITIZCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-3-17-11(15)10(14)8-6(12)4-5-7(16-2)9(8)13/h4-5,10,14H,3H2,1-2H3.
What are the key properties of ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate?
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 246.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117367196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).