2-(2,4-dichlorophenoxy)acetate

C8H5Cl2O3- — CID 3388301

IUPAC2-(2,4-dichlorophenoxy)acetate
SMILESO=C([O-])COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/p-1
InChIKeyOVSKIKFHRZPJSS-UHFFFAOYSA-M
MW220.03 g/mol
LogP1.12
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)acetate

2-(2,4-dichlorophenoxy)acetate (PubChem CID 3388301) has the molecular formula C8H5Cl2O3- and a molecular weight of 220.03 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)acetate
PubChem CID3388301
Molecular FormulaC8H5Cl2O3-
Molecular Weight220.03 g/mol
Exact Mass218.96
IUPAC Name2-(2,4-dichlorophenoxy)acetate
SMILESO=C([O-])COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/p-1
InChIKeyOVSKIKFHRZPJSS-UHFFFAOYSA-M
XLogP1.12
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.03
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of 2-(2,4-dichlorophenoxy)acetate (CID 3388301) is 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)acetate is O=C([O-])COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is OVSKIKFHRZPJSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/p-1.
What are the key properties of 2-(2,4-dichlorophenoxy)acetate?
2-(2,4-dichlorophenoxy)acetate has a molecular weight of 220.03 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 3388301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).