2-(2,6-dichlorophenoxy)acetic acid

C8H6Cl2O3 — CID 11332

IUPAC2-(2,6-dichlorophenoxy)acetic acid
SMILESO=C(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)
InChIKeyKHZWIIFEFQBNKL-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.46
Rot. Bonds3

About 2-(2,6-dichlorophenoxy)acetic acid

2-(2,6-dichlorophenoxy)acetic acid (PubChem CID 11332) has the molecular formula C8H6Cl2O3 and a molecular weight of 221.04 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)acetic acid
PubChem CID11332
Molecular FormulaC8H6Cl2O3
Molecular Weight221.04 g/mol
Exact Mass219.97
IUPAC Name2-(2,6-dichlorophenoxy)acetic acid
SMILESO=C(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)
InChIKeyKHZWIIFEFQBNKL-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)acetic acid?
The IUPAC name of 2-(2,6-dichlorophenoxy)acetic acid (CID 11332) is 2-(2,6-dichlorophenoxy)acetic acid.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)acetic acid?
The canonical SMILES for 2-(2,6-dichlorophenoxy)acetic acid is O=C(O)COc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenoxy)acetic acid?
The InChIKey is KHZWIIFEFQBNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(2,6-dichlorophenoxy)acetic acid?
2-(2,6-dichlorophenoxy)acetic acid has a molecular weight of 221.04 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)acetic acid is sourced from PubChem (CID 11332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).