2-chloro-3-(4-methylphenoxy)propanoic acid

C10H11ClO3 — CID 22378514

IUPAC2-chloro-3-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(OCC(Cl)C(=O)O)cc1
InChIInChI=1S/C10H11ClO3/c1-7-2-4-8(5-3-7)14-6-9(11)10(12)13/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyJSYXBSDEKUQGMV-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.07
Rot. Bonds4

About 2-chloro-3-(4-methylphenoxy)propanoic acid

2-chloro-3-(4-methylphenoxy)propanoic acid (PubChem CID 22378514) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-3-(4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-chloro-3-(4-methylphenoxy)propanoic acid
PubChem CID22378514
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-chloro-3-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(OCC(Cl)C(=O)O)cc1
InChIInChI=1S/C10H11ClO3/c1-7-2-4-8(5-3-7)14-6-9(11)10(12)13/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyJSYXBSDEKUQGMV-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-3-(4-methylphenoxy)propanoic 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

2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
4-methyl-2-[(4-methylphenoxy)methyl]pentanoic acid
CID 117242212
2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid
CID 117241071
3-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]butanoic acid
CID 103242905
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
2-hydroxy-5-(4-methylphenoxy)pentanoic acid
CID 69033071
2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
CID 82023855
3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239808
ethyl (3S)-3-hydroxy-4-(4-methylphenoxy)butanoate
CID 129404710
(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
CID 10353214
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-methylphenoxy)propanoic acid?
The IUPAC name of 2-chloro-3-(4-methylphenoxy)propanoic acid (CID 22378514) is 2-chloro-3-(4-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-chloro-3-(4-methylphenoxy)propanoic acid?
The canonical SMILES for 2-chloro-3-(4-methylphenoxy)propanoic acid is Cc1ccc(OCC(Cl)C(=O)O)cc1.
What is the InChIKey of 2-chloro-3-(4-methylphenoxy)propanoic acid?
The InChIKey is JSYXBSDEKUQGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-7-2-4-8(5-3-7)14-6-9(11)10(12)13/h2-5,9H,6H2,1H3,(H,12,13).
What are the key properties of 2-chloro-3-(4-methylphenoxy)propanoic acid?
2-chloro-3-(4-methylphenoxy)propanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-methylphenoxy)propanoic acid is sourced from PubChem (CID 22378514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).