2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid

C16H15ClO4 — CID 43532238

IUPAC2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid
SMILESCc1cc(Cl)ccc1OCCOc1ccccc1C(=O)O
InChIInChI=1S/C16H15ClO4/c1-11-10-12(17)6-7-14(11)20-8-9-21-15-5-3-2-4-13(15)16(18)19/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyIZIWSORGPOIMKF-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.80
Rot. Bonds6

About 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid

2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid (PubChem CID 43532238) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid
PubChem CID43532238
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid
SMILESCc1cc(Cl)ccc1OCCOc1ccccc1C(=O)O
InChIInChI=1S/C16H15ClO4/c1-11-10-12(17)6-7-14(11)20-8-9-21-15-5-3-2-4-13(15)16(18)19/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyIZIWSORGPOIMKF-UHFFFAOYSA-N
XLogP3.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic 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

5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]benzoic acid
CID 20988227
2-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22682108
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
4-[2-(2-chlorophenoxy)ethoxy]-3-methylbenzoic acid
CID 107673991
1-(4-chloro-2-methylphenoxy)-4-methylpentan-3-one
CID 92931875
4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
CID 60651665
5-chloro-2-propoxybenzoic acid;tungsten
CID 58176462
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
CID 20988301
4-chloro-2-(2-propoxyphenoxy)benzoic acid
CID 63082699
2-[2-(4-chloro-2-fluoroanilino)ethoxy]benzoic acid
CID 103247399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid (CID 43532238) is 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid is Cc1cc(Cl)ccc1OCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid?
The InChIKey is IZIWSORGPOIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-11-10-12(17)6-7-14(11)20-8-9-21-15-5-3-2-4-13(15)16(18)19/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid?
2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid has a molecular weight of 306.75 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 43532238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).