2-(2-chloro-4-ethoxyphenyl)benzoic acid

C15H13ClO3 — CID 53218434

IUPAC2-(2-chloro-4-ethoxyphenyl)benzoic acid
SMILESCCOc1ccc(-c2ccccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C15H13ClO3/c1-2-19-10-7-8-12(14(16)9-10)11-5-3-4-6-13(11)15(17)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeyWUXHKKQDXBUTQL-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.10
Rot. Bonds4

About 2-(2-chloro-4-ethoxyphenyl)benzoic acid

2-(2-chloro-4-ethoxyphenyl)benzoic acid (PubChem CID 53218434) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(2-chloro-4-ethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-(2-chloro-4-ethoxyphenyl)benzoic acid
PubChem CID53218434
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-(2-chloro-4-ethoxyphenyl)benzoic acid
SMILESCCOc1ccc(-c2ccccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C15H13ClO3/c1-2-19-10-7-8-12(14(16)9-10)11-5-3-4-6-13(11)15(17)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeyWUXHKKQDXBUTQL-UHFFFAOYSA-N
XLogP4.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-4-ethoxyphenyl)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

2-(2-chloro-4-ethoxyphenyl)-6-methylbenzoic acid
CID 53228137
3-(2-chloro-4-ethoxyphenyl)-4-fluorobenzoic acid
CID 53228147
4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid
CID 158745717
6-(2-chloro-4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 156890014
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid
CID 53228156
2-[2-(2-butoxy-4-chlorophenyl)phenyl]benzoic acid
CID 71053481
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
4-chloro-2-(4-ethoxyphenyl)benzoic acid
CID 107989630
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
ethane;ethyl 2-(2-chloro-4-methylphenyl)benzoate
CID 143972666

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-ethoxyphenyl)benzoic acid?
The IUPAC name of 2-(2-chloro-4-ethoxyphenyl)benzoic acid (CID 53218434) is 2-(2-chloro-4-ethoxyphenyl)benzoic acid.
What is the SMILES notation for 2-(2-chloro-4-ethoxyphenyl)benzoic acid?
The canonical SMILES for 2-(2-chloro-4-ethoxyphenyl)benzoic acid is CCOc1ccc(-c2ccccc2C(=O)O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-ethoxyphenyl)benzoic acid?
The InChIKey is WUXHKKQDXBUTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-2-19-10-7-8-12(14(16)9-10)11-5-3-4-6-13(11)15(17)18/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 2-(2-chloro-4-ethoxyphenyl)benzoic acid?
2-(2-chloro-4-ethoxyphenyl)benzoic acid has a molecular weight of 276.72 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-ethoxyphenyl)benzoic acid is sourced from PubChem (CID 53218434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).