Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

43M

Summary
Name:4-CHLORO-3-METHYLPHENOL
Formula:C7 H7 Cl O
Formal charge:0
Formula weight:142.583 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-chloro-3-methylphenol
OpenEye OEToolkits1.5.04-chloro-3-methyl-phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(O)cc1C
SMILES_CANONICALCACTVS3.341Cc1cc(O)ccc1Cl
SMILESCACTVS3.341Cc1cc(O)ccc1Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1cc(ccc1Cl)O
SMILESOpenEye OEToolkits1.5.0Cc1cc(ccc1Cl)O
InChIInChI1.03InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKeyInChI1.03CFKMVGJGLGKFKI-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

PDB statisticsPDBj update infoContact PDBjnumon