ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate

C11H10ClNO3 — CID 134653188

IUPACethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)cc(O)cc1C#N
InChIInChI=1S/C11H10ClNO3/c1-2-16-11(15)5-9-7(6-13)3-8(14)4-10(9)12/h3-4,14H,2,5H2,1H3
InChIKeyHOHOGHWTYHQVJW-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.02
Rot. Bonds3

About ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate

ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate (PubChem CID 134653188) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate
PubChem CID134653188
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Nameethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)cc(O)cc1C#N
InChIInChI=1S/C11H10ClNO3/c1-2-16-11(15)5-9-7(6-13)3-8(14)4-10(9)12/h3-4,14H,2,5H2,1H3
InChIKeyHOHOGHWTYHQVJW-UHFFFAOYSA-N
XLogP2.02
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-cyano-4-hydroxy-6-(trifluoromethylsulfanyl)phenyl]acetate
CID 134655496
ethyl 2-(3-chloro-6-cyano-2-iodophenyl)acetate
CID 134653227
ethyl 2-(4,5-dichloro-2-cyanophenyl)acetate
CID 134654059
ethyl 2-[2-(bromomethyl)-4-chloro-6-cyanophenyl]acetate
CID 134652770
ethyl 2-(4-chloro-2-cyano-6-formylphenyl)acetate
CID 134652623
ethyl 2-[4-chloro-5-(chloromethyl)-2-cyanophenyl]acetate
CID 134653053
ethyl 2-(2-cyano-6-ethyl-4-iodophenyl)acetate
CID 134614895
ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate
CID 134632248
ethyl 2-[3-cyano-5-hydroxy-2-(trifluoromethoxy)phenyl]acetate
CID 134654219
ethyl 2-(2,4,6-trihydroxyphenyl)acetate
CID 96710196
ethyl 2-(6-cyano-2,3-dihydroxyphenyl)acetate
CID 134654415
ethyl 2-[2-cyano-4-ethyl-6-(hydroxymethyl)phenyl]acetate
CID 134615004

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate (CID 134653188) is ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate is CCOC(=O)Cc1c(Cl)cc(O)cc1C#N.
What is the InChIKey of ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate?
The InChIKey is HOHOGHWTYHQVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-2-16-11(15)5-9-7(6-13)3-8(14)4-10(9)12/h3-4,14H,2,5H2,1H3.
What are the key properties of ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate?
ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate has a molecular weight of 239.66 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate is sourced from PubChem (CID 134653188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).