Molecule ID: 51351727

IUPAC Name: 2-[2-(2,6-dichloroanilino)-5-[2-(2-oxoethoxy)ethoxy]phenyl]acetic acid

Description: The molecule is a member of the class of phenylacetic acids that is phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position and a 2-(2-oxoethoxy)ethoxy group at the 5-position. It has a role as an allergen. It is a dichlorobenzene and a member of phenylacetic acids. It derives from a diphenylamine and a phenylacetic acid.

SMILES: O=CCOCCOc1ccc(Nc2c(Cl)cccc2Cl)c(CC(=O)O)c1

SELFIES: [O][=C][C][O][C][C][O][C][=C][C][=C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C18H17Cl2NO5/c19-14-2-1-3-15(20)18(14)21-16-5-4-13(10-12(16)11-17(23)24)26-9-8-25-7-6-22/h1-6,10,21H,7-9,11H2,(H,23,24)

Molecular Properties:
- Polar Surface Area: 84.9 Ų
- LogP: 3.6