2-(3-chlorophenoxy)acetic acid

C8H7ClO3 — CID 11497

IUPAC2-(3-chlorophenoxy)acetic acid
SMILESO=C(O)COc1cccc(Cl)c1
InChIInChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyXSBUXVWJQVTYLC-UHFFFAOYSA-N
MW186.59 g/mol
LogP1.80
Rot. Bonds3

About 2-(3-chlorophenoxy)acetic acid

2-(3-chlorophenoxy)acetic acid (PubChem CID 11497) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-chlorophenoxy)acetic acid
PubChem CID11497
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Name2-(3-chlorophenoxy)acetic acid
SMILESO=C(O)COc1cccc(Cl)c1
InChIInChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyXSBUXVWJQVTYLC-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenoxy)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-(3-chlorophenoxy)acetic acid?
The IUPAC name of 2-(3-chlorophenoxy)acetic acid (CID 11497) is 2-(3-chlorophenoxy)acetic acid.
What is the SMILES notation for 2-(3-chlorophenoxy)acetic acid?
The canonical SMILES for 2-(3-chlorophenoxy)acetic acid is O=C(O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)acetic acid?
The InChIKey is XSBUXVWJQVTYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(3-chlorophenoxy)acetic acid?
2-(3-chlorophenoxy)acetic acid has a molecular weight of 186.59 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)acetic acid is sourced from PubChem (CID 11497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).