U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H16O
Molecular Weight 164.2441
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-tert-Butyl-4-methylphenol

SMILES

CC1=CC=C(O)C=C1C(C)(C)C

InChI

InChIKey=OBYOFMNDYOOIPV-UHFFFAOYSA-N
InChI=1S/C11H16O/c1-8-5-6-9(12)7-10(8)11(2,3)4/h5-7,12H,1-4H3

HIDE SMILES / InChI

Molecular Formula C11H16O
Molecular Weight 164.2441
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:17:22 GMT 2025
Edited
by admin
on Wed Apr 02 19:17:22 GMT 2025
Record UNII
P53W7KGC4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-tert-Butyl-4-methylphenol
Systematic Name English
p-Cresol, 3-tert-butyl-
Preferred Name English
3-(1,1-Dimethylethyl)-4-methylphenol
Systematic Name English
Phenol, 3-(1,1-dimethylethyl)-4-methyl-
Systematic Name English
Code System Code Type Description
CAS
133-72-2
Created by admin on Wed Apr 02 19:17:22 GMT 2025 , Edited by admin on Wed Apr 02 19:17:22 GMT 2025
PRIMARY
FDA UNII
P53W7KGC4G
Created by admin on Wed Apr 02 19:17:22 GMT 2025 , Edited by admin on Wed Apr 02 19:17:22 GMT 2025
PRIMARY
PUBCHEM
13130216
Created by admin on Wed Apr 02 19:17:22 GMT 2025 , Edited by admin on Wed Apr 02 19:17:22 GMT 2025
PRIMARY