ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate

C11H12F2O4 — CID 69290018

IUPACethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate
SMILESCCOC(=O)C(OC)c1c(F)cc(O)cc1F
InChIInChI=1S/C11H12F2O4/c1-3-17-11(15)10(16-2)9-7(12)4-6(14)5-8(9)13/h4-5,10,14H,3H2,1-2H3
InChIKeyQCYCAVVPUNAJGE-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.92
Rot. Bonds4

About ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate

ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate (PubChem CID 69290018) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate
PubChem CID69290018
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Nameethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate
SMILESCCOC(=O)C(OC)c1c(F)cc(O)cc1F
InChIInChI=1S/C11H12F2O4/c1-3-17-11(15)10(16-2)9-7(12)4-6(14)5-8(9)13/h4-5,10,14H,3H2,1-2H3
InChIKeyQCYCAVVPUNAJGE-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate?
The IUPAC name of ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate (CID 69290018) is ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate.
What is the SMILES notation for ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate?
The canonical SMILES for ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate is CCOC(=O)C(OC)c1c(F)cc(O)cc1F.
What is the InChIKey of ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate?
The InChIKey is QCYCAVVPUNAJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-3-17-11(15)10(16-2)9-7(12)4-6(14)5-8(9)13/h4-5,10,14H,3H2,1-2H3.
What are the key properties of ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate?
ethyl 2-(2,6-difluoro-4-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-4-hydroxyphenyl)-2-methoxyacetate is sourced from PubChem (CID 69290018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).