2-(2,4-dichlorophenoxy)propanoic acid

C9H8Cl2O3 — CID 8427

IUPAC2-(2,4-dichlorophenoxy)propanoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
InChIKeyMZHCENGPTKEIGP-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.85
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)propanoic acid

2-(2,4-dichlorophenoxy)propanoic acid (PubChem CID 8427) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)propanoic acid
PubChem CID8427
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name2-(2,4-dichlorophenoxy)propanoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
InChIKeyMZHCENGPTKEIGP-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)propanoic acid
CID 67631738
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid
CID 67926622

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)propanoic acid?
The IUPAC name of 2-(2,4-dichlorophenoxy)propanoic acid (CID 8427) is 2-(2,4-dichlorophenoxy)propanoic acid.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)propanoic acid?
The canonical SMILES for 2-(2,4-dichlorophenoxy)propanoic acid is CC(Oc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 2-(2,4-dichlorophenoxy)propanoic acid?
The InChIKey is MZHCENGPTKEIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(2,4-dichlorophenoxy)propanoic acid?
2-(2,4-dichlorophenoxy)propanoic acid has a molecular weight of 235.07 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)propanoic acid is sourced from PubChem (CID 8427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).