Molecule ID: 2724

IUPAC Name: [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate

Description: The molecule is the carbamate ester of the primary hydroxy group of chlorphenesin. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm. It has a role as a muscle relaxant. It is a carbamate ester, a member of monochlorobenzenes and a secondary alcohol. It derives from a chlorphenesin and a carbamic acid.

SMILES: N=C(O)OCC(O)COc1ccc(Cl)cc1

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

InChI: InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)

Molecular Properties:
- Polar Surface Area: 81.8 Ų
- LogP: 1.2