2-(2-chloro-5-methylphenoxy)acetic acid

C9H9ClO3 — CID 2060563

IUPAC2-(2-chloro-5-methylphenoxy)acetic acid
SMILESCc1ccc(Cl)c(OCC(=O)O)c1
InChIInChI=1S/C9H9ClO3/c1-6-2-3-7(10)8(4-6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyJEJIBWJTYHKGFO-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.11
Rot. Bonds3

About 2-(2-chloro-5-methylphenoxy)acetic acid

2-(2-chloro-5-methylphenoxy)acetic acid (PubChem CID 2060563) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)acetic acid
PubChem CID2060563
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-(2-chloro-5-methylphenoxy)acetic acid
SMILESCc1ccc(Cl)c(OCC(=O)O)c1
InChIInChI=1S/C9H9ClO3/c1-6-2-3-7(10)8(4-6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyJEJIBWJTYHKGFO-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-5-methylphenoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)acetic acid?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)acetic acid (CID 2060563) is 2-(2-chloro-5-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)acetic acid?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)acetic acid is Cc1ccc(Cl)c(OCC(=O)O)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)acetic acid?
The InChIKey is JEJIBWJTYHKGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-6-2-3-7(10)8(4-6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(2-chloro-5-methylphenoxy)acetic acid?
2-(2-chloro-5-methylphenoxy)acetic acid has a molecular weight of 200.62 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)acetic acid is sourced from PubChem (CID 2060563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).