ethyl 2-(4-chlorophenoxy)acetate

C10H11ClO3 — CID 26689

IUPACethyl 2-(4-chlorophenoxy)acetate
SMILESCCOC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
InChIKeyQULRDJFRGVHKLN-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.28
Rot. Bonds4

About ethyl 2-(4-chlorophenoxy)acetate

ethyl 2-(4-chlorophenoxy)acetate (PubChem CID 26689) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenoxy)acetate
PubChem CID26689
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Nameethyl 2-(4-chlorophenoxy)acetate
SMILESCCOC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
InChIKeyQULRDJFRGVHKLN-UHFFFAOYSA-N
XLogP2.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenoxy)acetate?
The IUPAC name of ethyl 2-(4-chlorophenoxy)acetate (CID 26689) is ethyl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for ethyl 2-(4-chlorophenoxy)acetate is CCOC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenoxy)acetate?
The InChIKey is QULRDJFRGVHKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenoxy)acetate?
ethyl 2-(4-chlorophenoxy)acetate has a molecular weight of 214.65 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 26689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).