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

C12H14F2O4 — CID 69290842

IUPACethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate
SMILESCCOC(=O)C(OCC)c1c(F)cc(O)cc1F
InChIInChI=1S/C12H14F2O4/c1-3-17-11(12(16)18-4-2)10-8(13)5-7(15)6-9(10)14/h5-6,11,15H,3-4H2,1-2H3
InChIKeyOARGJUYNGPRMSX-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.31
Rot. Bonds5

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

ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate (PubChem CID 69290842) has the molecular formula C12H14F2O4 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate
PubChem CID69290842
Molecular FormulaC12H14F2O4
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Nameethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate
SMILESCCOC(=O)C(OCC)c1c(F)cc(O)cc1F
InChIInChI=1S/C12H14F2O4/c1-3-17-11(12(16)18-4-2)10-8(13)5-7(15)6-9(10)14/h5-6,11,15H,3-4H2,1-2H3
InChIKeyOARGJUYNGPRMSX-UHFFFAOYSA-N
XLogP2.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(+-)-4-Hydroxymandelic acid
CID 328
4-Methoxymandelic acid
CID 112056
(S)-4-hydroxymandelic acid
CID 439940
Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester
CID 111357
4-Hydroxymandelate
CID 5460261
alpha,4-Dimethoxybenzenepropanoic acid
CID 69053128
Methyl 2-(3-fluoro-4-hydroxyphenyl)acetate
CID 10797559
3-Benzyl-4-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydrofuran-2-one
CID 54738507
2-Ethoxy-2-oxoethyl 4-hydroxybenzoate
CID 1930187
(2S)-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 11564639
(2S)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951706
Ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate
CID 9816147

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate?
The IUPAC name of ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate (CID 69290842) is ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate.
What is the SMILES notation for ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate?
The canonical SMILES for ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate is CCOC(=O)C(OCC)c1c(F)cc(O)cc1F.
What is the InChIKey of ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate?
The InChIKey is OARGJUYNGPRMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O4/c1-3-17-11(12(16)18-4-2)10-8(13)5-7(15)6-9(10)14/h5-6,11,15H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate?
ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate has a molecular weight of 260.24 g/mol, XLogP of 2.31, 5 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-ethoxyacetate is sourced from PubChem (CID 69290842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).