ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate

C11H12F2O4 — CID 69290294

IUPACethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate
SMILESCCOC(=O)C(OC)c1c(F)ccc(O)c1F
InChIInChI=1S/C11H12F2O4/c1-3-17-11(15)10(16-2)8-6(12)4-5-7(14)9(8)13/h4-5,10,14H,3H2,1-2H3
InChIKeyBLGNMKACMRRZOB-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.92
Rot. Bonds4

About ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate

ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate (PubChem CID 69290294) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate
PubChem CID69290294
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Nameethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate
SMILESCCOC(=O)C(OC)c1c(F)ccc(O)c1F
InChIInChI=1S/C11H12F2O4/c1-3-17-11(15)10(16-2)8-6(12)4-5-7(14)9(8)13/h4-5,10,14H,3H2,1-2H3
InChIKeyBLGNMKACMRRZOB-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxymandelic acid
CID 86957
3-Hydroxymandelic acid, (-)-
CID 13358352
3-Methoxyphenylglycolic acid
CID 89441
Ethyl (3-Hydroxyphenyl)acetate
CID 572437
Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate
CID 296017
2-Ethoxy-2-oxoethyl 4-hydroxybenzoate
CID 1930187
Ethyl 3-hydroxy-4-methoxy-mandelate
CID 12569542
2-Methoxy-2-oxoethyl 4-hydroxybenzoate
CID 805551
2,6-Difluoro-3-methoxyphenylacetic acid
CID 3816042
2-(3-(2-Methoxyethoxy)phenyl)acetic acid
CID 61398185
Ethyl hydroxy(4-hydroxy-3-methoxyphenyl)acetate
CID 71752925
Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propanoate
CID 4281857

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate?
The IUPAC name of ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate (CID 69290294) is ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate.
What is the SMILES notation for ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate?
The canonical SMILES for ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate is CCOC(=O)C(OC)c1c(F)ccc(O)c1F.
What is the InChIKey of ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate?
The InChIKey is BLGNMKACMRRZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-3-17-11(15)10(16-2)8-6(12)4-5-7(14)9(8)13/h4-5,10,14H,3H2,1-2H3.
What are the key properties of ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate?
ethyl 2-(2,6-difluoro-3-hydroxyphenyl)-2-methoxyacetate has a molecular weight of 246.21 g/mol, XLogP of 1.92, 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-hydroxyphenyl)-2-methoxyacetate is sourced from PubChem (CID 69290294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).