Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1OH

Summary
Name:4-(1-methyl-1-phenylethyl)phenol
Synonyms:2-(4'-Hydroxyphenyl)-2-phenylpropane
4-alpha-Cumylphenol
Formula:C15 H16 O
Formal charge:0
Formula weight:212.287 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(1-methyl-1-phenylethyl)phenol
OpenEye OEToolkits1.5.04-(2-phenylpropan-2-yl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1ccc(cc1)C(c2ccccc2)(C)C
SMILES_CANONICALCACTVS3.341CC(C)(c1ccccc1)c2ccc(O)cc2
SMILESCACTVS3.341CC(C)(c1ccccc1)c2ccc(O)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(c1ccccc1)c2ccc(cc2)O
SMILESOpenEye OEToolkits1.5.0CC(C)(c1ccccc1)c2ccc(cc2)O
InChIInChI1.03InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
InChIKeyInChI1.03QBDSZLJBMIMQRS-UHFFFAOYSA-N

219140

PDB entries from 2024-05-01

PDB statisticsPDBj update infoContact PDBjnumon