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

C11H13ClO3 — CID 4508431

IUPACethyl 2-(2-chloro-5-methylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C11H13ClO3/c1-3-14-11(13)7-15-10-6-8(2)4-5-9(10)12/h4-6H,3,7H2,1-2H3
InChIKeyXKZUKNBMNTXXOO-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.59
Rot. Bonds4

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

ethyl 2-(2-chloro-5-methylphenoxy)acetate (PubChem CID 4508431) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is ethyl 2-(2-chloro-5-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-5-methylphenoxy)acetate
PubChem CID4508431
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Nameethyl 2-(2-chloro-5-methylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C11H13ClO3/c1-3-14-11(13)7-15-10-6-8(2)4-5-9(10)12/h4-6H,3,7H2,1-2H3
InChIKeyXKZUKNBMNTXXOO-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2-chloro-5-methylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-5-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(2-chloro-5-methylphenoxy)acetate (CID 4508431) is ethyl 2-(2-chloro-5-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-5-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(2-chloro-5-methylphenoxy)acetate is CCOC(=O)COc1cc(C)ccc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-5-methylphenoxy)acetate?
The InChIKey is XKZUKNBMNTXXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-3-14-11(13)7-15-10-6-8(2)4-5-9(10)12/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(2-chloro-5-methylphenoxy)acetate?
ethyl 2-(2-chloro-5-methylphenoxy)acetate has a molecular weight of 228.67 g/mol, XLogP of 2.59, 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-5-methylphenoxy)acetate is sourced from PubChem (CID 4508431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).