ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate

C11H10FNO3 — CID 134655699

IUPACethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(C#N)c(O)cc1F
InChIInChI=1S/C11H10FNO3/c1-2-16-11(15)4-7-3-8(6-13)10(14)5-9(7)12/h3,5,14H,2,4H2,1H3
InChIKeySIBOHGDBFLYALD-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.51
Rot. Bonds3

About ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate

ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate (PubChem CID 134655699) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate
PubChem CID134655699
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Nameethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(C#N)c(O)cc1F
InChIInChI=1S/C11H10FNO3/c1-2-16-11(15)4-7-3-8(6-13)10(14)5-9(7)12/h3,5,14H,2,4H2,1H3
InChIKeySIBOHGDBFLYALD-UHFFFAOYSA-N
XLogP1.51
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-cyano-2-fluoro-4-methylphenyl)acetate
CID 134633595
ethyl 2-[2-(bromomethyl)-5-cyano-4-hydroxyphenyl]acetate
CID 134652854
ethyl 2-[2-(chloromethyl)-5-cyano-4-hydroxyphenyl]acetate
CID 134653831
ethyl 2-(2-cyano-5-ethyl-4-fluorophenyl)acetate
CID 134654353
ethyl 2-[5-cyano-4-(difluoromethoxy)-2-fluorophenyl]acetate
CID 134653787
ethyl 2-[4-(bromomethyl)-5-cyano-2-hydroxyphenyl]acetate
CID 134652867
ethyl 2-(5-cyano-4-hydroxy-2-nitrophenyl)acetate
CID 134655507
ethyl 2-[5-(aminomethyl)-4-cyano-2-hydroxyphenyl]acetate
CID 134652264
ethyl 2-[2-(chloromethyl)-4-cyano-5-fluorophenyl]acetate
CID 134632088
ethyl 2-[4-cyano-5-(difluoromethoxy)-2-fluorophenyl]acetate
CID 134653797
ethyl 2-(2-cyano-5-hydroxy-4-methylphenyl)acetate
CID 134632229
ethyl 2-(5-cyano-2-fluorophenyl)acetate
CID 134652042

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate (CID 134655699) is ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate is CCOC(=O)Cc1cc(C#N)c(O)cc1F.
What is the InChIKey of ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate?
The InChIKey is SIBOHGDBFLYALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-2-16-11(15)4-7-3-8(6-13)10(14)5-9(7)12/h3,5,14H,2,4H2,1H3.
What are the key properties of ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate?
ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate has a molecular weight of 223.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate is sourced from PubChem (CID 134655699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).