ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate

C11H12ClFO3 — CID 22955953

IUPACethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)c(F)cc1Cl
InChIInChI=1S/C11H12ClFO3/c1-3-15-11(14)6-16-10-4-7(2)9(13)5-8(10)12/h4-5H,3,6H2,1-2H3
InChIKeyDJRUVTXREOLBQU-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.73
Rot. Bonds4

About ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate

ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate (PubChem CID 22955953) has the molecular formula C11H12ClFO3 and a molecular weight of 246.66 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate
PubChem CID22955953
Molecular FormulaC11H12ClFO3
Molecular Weight246.66 g/mol
Exact Mass246.05
IUPAC Nameethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)c(F)cc1Cl
InChIInChI=1S/C11H12ClFO3/c1-3-15-11(14)6-16-10-4-7(2)9(13)5-8(10)12/h4-5H,3,6H2,1-2H3
InChIKeyDJRUVTXREOLBQU-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate (CID 22955953) is ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate is CCOC(=O)COc1cc(C)c(F)cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate?
The InChIKey is DJRUVTXREOLBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3/c1-3-15-11(14)6-16-10-4-7(2)9(13)5-8(10)12/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate?
ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate has a molecular weight of 246.66 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-4-fluoro-5-methylphenoxy)acetate is sourced from PubChem (CID 22955953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).