ethyl 2-(3-chloro-2-cyanophenoxy)acetate

C11H10ClNO3 — CID 79035534

IUPACethyl 2-(3-chloro-2-cyanophenoxy)acetate
SMILESCCOC(=O)COc1cccc(Cl)c1C#N
InChIInChI=1S/C11H10ClNO3/c1-2-15-11(14)7-16-10-5-3-4-9(12)8(10)6-13/h3-5H,2,7H2,1H3
InChIKeySIHLHSXULQFJEH-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.15
Rot. Bonds4

About ethyl 2-(3-chloro-2-cyanophenoxy)acetate

ethyl 2-(3-chloro-2-cyanophenoxy)acetate (PubChem CID 79035534) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 2-(3-chloro-2-cyanophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-2-cyanophenoxy)acetate
PubChem CID79035534
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Nameethyl 2-(3-chloro-2-cyanophenoxy)acetate
SMILESCCOC(=O)COc1cccc(Cl)c1C#N
InChIInChI=1S/C11H10ClNO3/c1-2-15-11(14)7-16-10-5-3-4-9(12)8(10)6-13/h3-5H,2,7H2,1H3
InChIKeySIHLHSXULQFJEH-UHFFFAOYSA-N
XLogP2.15
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-cyanophenoxy)-N-ethyl-N-methylacetamide
CID 79035646
2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
CID 107508195
2-chloro-6-[2-(2-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323691
2-chloro-6-phenacyloxybenzonitrile
CID 113277419
ethyl 2-(3-chloro-2-cyanophenoxy)pentanoate
CID 83037631
2-chloro-6-(3-ethoxypropoxy)benzonitrile
CID 79032993
2-chloro-6-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 114323709
2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323687
2-chloro-6-[2-(4-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323689
ethyl 3-chloro-2-cyanobenzoate
CID 14696600
2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile
CID 64573225
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-2-cyanophenoxy)acetate?
The IUPAC name of ethyl 2-(3-chloro-2-cyanophenoxy)acetate (CID 79035534) is ethyl 2-(3-chloro-2-cyanophenoxy)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-2-cyanophenoxy)acetate?
The canonical SMILES for ethyl 2-(3-chloro-2-cyanophenoxy)acetate is CCOC(=O)COc1cccc(Cl)c1C#N.
What is the InChIKey of ethyl 2-(3-chloro-2-cyanophenoxy)acetate?
The InChIKey is SIHLHSXULQFJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-2-15-11(14)7-16-10-5-3-4-9(12)8(10)6-13/h3-5H,2,7H2,1H3.
What are the key properties of ethyl 2-(3-chloro-2-cyanophenoxy)acetate?
ethyl 2-(3-chloro-2-cyanophenoxy)acetate has a molecular weight of 239.66 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-2-cyanophenoxy)acetate is sourced from PubChem (CID 79035534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).