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

C11H13ClO3 — CID 17603

IUPACethyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C11H13ClO3/c1-3-14-11(13)7-15-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
InChIKeyOUYDEKFRLSFDMU-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.59
Rot. Bonds4

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

ethyl 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 17603) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID17603
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Nameethyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C11H13ClO3/c1-3-14-11(13)7-15-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
InChIKeyOUYDEKFRLSFDMU-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-(4-chloro-2-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

Related Compounds

ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
tridecyl 2-(4-chloro-2-methylphenoxy)acetate
CID 91744367
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
ethyl 4-[[2-[2-(4-chloro-2-methylphenoxy)acetyl]oxyacetyl]amino]butanoate
CID 29155553
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate
CID 39269639
ethyl 2-(2-methyl-4-sulfanylphenoxy)acetate
CID 16641178
ethyl 2-(4-iodo-2-methylphenoxy)acetate
CID 57361058
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230900
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021109
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-chloro-2-methylphenoxy)acetate (CID 17603) is ethyl 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-chloro-2-methylphenoxy)acetate is CCOC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of ethyl 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is OUYDEKFRLSFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-3-14-11(13)7-15-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-2-methylphenoxy)acetate?
ethyl 2-(4-chloro-2-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-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 17603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).