2-(4-chloro-2,6-dimethylphenoxy)acetic acid

C10H11ClO3 — CID 2424049

IUPAC2-(4-chloro-2,6-dimethylphenoxy)acetic acid
SMILESCc1cc(Cl)cc(C)c1OCC(=O)O
InChIInChI=1S/C10H11ClO3/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyZUQUKAZRAFLJAZ-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.42
Rot. Bonds3

About 2-(4-chloro-2,6-dimethylphenoxy)acetic acid

2-(4-chloro-2,6-dimethylphenoxy)acetic acid (PubChem CID 2424049) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)acetic acid
PubChem CID2424049
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)acetic acid
SMILESCc1cc(Cl)cc(C)c1OCC(=O)O
InChIInChI=1S/C10H11ClO3/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyZUQUKAZRAFLJAZ-UHFFFAOYSA-N
XLogP2.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)acetic acid?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)acetic acid (CID 2424049) is 2-(4-chloro-2,6-dimethylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)acetic acid?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)acetic acid is Cc1cc(Cl)cc(C)c1OCC(=O)O.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)acetic acid?
The InChIKey is ZUQUKAZRAFLJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)acetic acid?
2-(4-chloro-2,6-dimethylphenoxy)acetic acid has a molecular weight of 214.65 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)acetic acid is sourced from PubChem (CID 2424049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).