ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate

C10H10F2O4 — CID 117335732

IUPACethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C10H10F2O4/c1-2-16-10(15)8(13)5-3-6(11)9(14)7(12)4-5/h3-4,8,13-14H,2H2,1H3
InChIKeyARPMSOKFSZIRPJ-UHFFFAOYSA-N
MW232.18 g/mol
LogP1.27
Rot. Bonds3

About ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate

ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate (PubChem CID 117335732) has the molecular formula C10H10F2O4 and a molecular weight of 232.18 g/mol. Its IUPAC name is ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
PubChem CID117335732
Molecular FormulaC10H10F2O4
Molecular Weight232.18 g/mol
Exact Mass232.05
IUPAC Nameethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C10H10F2O4/c1-2-16-10(15)8(13)5-3-6(11)9(14)7(12)4-5/h3-4,8,13-14H,2H2,1H3
InChIKeyARPMSOKFSZIRPJ-UHFFFAOYSA-N
XLogP1.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-chloro-5-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117374774
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl 2-(3-chloro-4,5-difluorophenyl)-2-hydroxyacetate
CID 117379961
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117335730
ethyl 2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetate
CID 117420956
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
ethyl 3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoate
CID 59419852
ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
CID 117108858
ethyl 2-(7-fluoro-1-benzothiophen-5-yl)-2-hydroxyacetate
CID 139839451
ethyl 3-(3,5-difluoro-4-hydroxyphenyl)-2-ethoxypropanoate
CID 59419836
ethyl 2-(2,3-difluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398914

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate (CID 117335732) is ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(F)c(O)c(F)c1.
What is the InChIKey of ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate?
The InChIKey is ARPMSOKFSZIRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4/c1-2-16-10(15)8(13)5-3-6(11)9(14)7(12)4-5/h3-4,8,13-14H,2H2,1H3.
What are the key properties of ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate?
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate has a molecular weight of 232.18 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117335732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).