3-(2-chloro-4-cyanophenoxy)butanoic acid

C11H10ClNO3 — CID 43536234

IUPAC3-(2-chloro-4-cyanophenoxy)butanoic acid
SMILESCC(CC(=O)O)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C11H10ClNO3/c1-7(4-11(14)15)16-10-3-2-8(6-13)5-9(10)12/h2-3,5,7H,4H2,1H3,(H,14,15)
InChIKeyDUGADDVZEQMHQY-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.45
Rot. Bonds4

About 3-(2-chloro-4-cyanophenoxy)butanoic acid

3-(2-chloro-4-cyanophenoxy)butanoic acid (PubChem CID 43536234) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(2-chloro-4-cyanophenoxy)butanoic acid.

Molecular Properties

Compound Name3-(2-chloro-4-cyanophenoxy)butanoic acid
PubChem CID43536234
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name3-(2-chloro-4-cyanophenoxy)butanoic acid
SMILESCC(CC(=O)O)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C11H10ClNO3/c1-7(4-11(14)15)16-10-3-2-8(6-13)5-9(10)12/h2-3,5,7H,4H2,1H3,(H,14,15)
InChIKeyDUGADDVZEQMHQY-UHFFFAOYSA-N
XLogP2.45
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chloro-4-cyanophenoxy)butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-bromo-2-chlorophenoxy)butanoic acid
CID 43536124
3-(2-chloro-4-cyanophenoxy)-2-methylpropanoic acid
CID 43538064
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
3-fluoro-4-(4-oxopentan-2-yloxy)benzonitrile
CID 107666517
ethyl 2-(2-chloro-4-cyanophenoxy)butanoate
CID 60667384
ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate
CID 79356473
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
CID 9384048
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398
(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide
CID 8976826

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-cyanophenoxy)butanoic acid?
The IUPAC name of 3-(2-chloro-4-cyanophenoxy)butanoic acid (CID 43536234) is 3-(2-chloro-4-cyanophenoxy)butanoic acid.
What is the SMILES notation for 3-(2-chloro-4-cyanophenoxy)butanoic acid?
The canonical SMILES for 3-(2-chloro-4-cyanophenoxy)butanoic acid is CC(CC(=O)O)Oc1ccc(C#N)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-cyanophenoxy)butanoic acid?
The InChIKey is DUGADDVZEQMHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-7(4-11(14)15)16-10-3-2-8(6-13)5-9(10)12/h2-3,5,7H,4H2,1H3,(H,14,15).
What are the key properties of 3-(2-chloro-4-cyanophenoxy)butanoic acid?
3-(2-chloro-4-cyanophenoxy)butanoic acid has a molecular weight of 239.66 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-cyanophenoxy)butanoic acid is sourced from PubChem (CID 43536234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).