2-(3-chlorophenoxy)propanoic acid

C9H9ClO3 — CID 7542

IUPAC2-(3-chlorophenoxy)propanoic acid
SMILESCC(Oc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)
InChIKeyYNTJKQDWYXUTLZ-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-chlorophenoxy)propanoic acid

2-(3-chlorophenoxy)propanoic acid (PubChem CID 7542) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenoxy)propanoic acid
PubChem CID7542
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-(3-chlorophenoxy)propanoic acid
SMILESCC(Oc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)
InChIKeyYNTJKQDWYXUTLZ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)propanoic acid?
The IUPAC name of 2-(3-chlorophenoxy)propanoic acid (CID 7542) is 2-(3-chlorophenoxy)propanoic acid.
What is the SMILES notation for 2-(3-chlorophenoxy)propanoic acid?
The canonical SMILES for 2-(3-chlorophenoxy)propanoic acid is CC(Oc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-(3-chlorophenoxy)propanoic acid?
The InChIKey is YNTJKQDWYXUTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12).
What are the key properties of 2-(3-chlorophenoxy)propanoic acid?
2-(3-chlorophenoxy)propanoic acid has a molecular weight of 200.62 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)propanoic acid is sourced from PubChem (CID 7542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).