1OH

4-(1-methyl-1-phenylethyl)phenol

Created:	2007-10-11
Last modified:	2021-03-13

Find Related PDB Entry
1 entries where 1OH is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-(1-methyl-1-phenylethyl)phenol
Synonyms	2-(4'-Hydroxyphenyl)-2-phenylpropane; 4-alpha-Cumylphenol
Systematic Name (OpenEye OEToolkits)	4-(2-phenylpropan-2-yl)phenol
Formula	C₁₅ H₁₆ O
Molecular Weight	212.287
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc1ccc(cc1)C(c2ccccc2)(C)C
SMILES	CACTVS	3.341	CC(C)(c1ccccc1)c2ccc(O)cc2
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(c1ccccc1)c2ccc(cc2)O
Canonical SMILES	CACTVS	3.341	CC(C)(c1ccccc1)c2ccc(O)cc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(c1ccccc1)c2ccc(cc2)O
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	QBDSZLJBMIMQRS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB06902
Name	p-Cumylphenol
Groups	experimental
Synonyms	4-(alpha,alpha-Dimethylbenzyl)phenol p-Cumylphenol 4-Cumylphenol
Categories	Benzene Derivatives
CAS number	599-64-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Estrogen-related receptor gamma	MDSVELCLPESFSLHYEEELLCRMSNKDRHIDSSCSSFIKTEPSSPASLT...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682