azane;2-(2,4-dichlorophenoxy)propanoic acid

C9H11Cl2NO3 — CID 173303839

IUPACazane;2-(2,4-dichlorophenoxy)propanoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)O.N
InChIInChI=1S/C9H8Cl2O3.H3N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);1H3
InChIKeyKIOAHPKRMDELKS-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.01
Rot. Bonds3

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

azane;2-(2,4-dichlorophenoxy)propanoic acid (PubChem CID 173303839) has the molecular formula C9H11Cl2NO3 and a molecular weight of 252.10 g/mol. Its IUPAC name is azane;2-(2,4-dichlorophenoxy)propanoic acid.

Molecular Properties

Compound Nameazane;2-(2,4-dichlorophenoxy)propanoic acid
PubChem CID173303839
Molecular FormulaC9H11Cl2NO3
Molecular Weight252.10 g/mol
Exact Mass251.01
IUPAC Nameazane;2-(2,4-dichlorophenoxy)propanoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)O.N
InChIInChI=1S/C9H8Cl2O3.H3N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);1H3
InChIKeyKIOAHPKRMDELKS-UHFFFAOYSA-N
XLogP3.01
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
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
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 azane;2-(2,4-dichlorophenoxy)propanoic acid?
The IUPAC name of azane;2-(2,4-dichlorophenoxy)propanoic acid (CID 173303839) is azane;2-(2,4-dichlorophenoxy)propanoic acid.
What is the SMILES notation for azane;2-(2,4-dichlorophenoxy)propanoic acid?
The canonical SMILES for azane;2-(2,4-dichlorophenoxy)propanoic acid is CC(Oc1ccc(Cl)cc1Cl)C(=O)O.N.
What is the InChIKey of azane;2-(2,4-dichlorophenoxy)propanoic acid?
The InChIKey is KIOAHPKRMDELKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3.H3N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);1H3.
What are the key properties of azane;2-(2,4-dichlorophenoxy)propanoic acid?
azane;2-(2,4-dichlorophenoxy)propanoic acid has a molecular weight of 252.10 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(2,4-dichlorophenoxy)propanoic acid is sourced from PubChem (CID 173303839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).