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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H20O
Molecular Weight 192.2973
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-2,5-BIS(1-METHYLETHYL)PHENOL

SMILES

CC(C)C1=CC(C)=C(C(C)C)C(O)=C1

InChI

InChIKey=LQCZIRGCOVVBOQ-UHFFFAOYSA-N
InChI=1S/C13H20O/c1-8(2)11-6-10(5)13(9(3)4)12(14)7-11/h6-9,14H,1-5H3

HIDE SMILES / InChI

Molecular Formula C13H20O
Molecular Weight 192.2973
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 Sat Dec 16 10:05:16 GMT 2023
Edited
by admin
on Sat Dec 16 10:05:16 GMT 2023
Record UNII
KKY2GVM6X4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-2,5-BIS(1-METHYLETHYL)PHENOL
Systematic Name English
2,5-DIISOPROPYL-M-CRESOL
Systematic Name English
PHENOL, 3-METHYL-2,5-BIS(1-METHYLETHYL)-
Systematic Name English
3-METHYL-2,5-BIS(1-METHYLETHYL)-PHENOL
Systematic Name English
Code System Code Type Description
FDA UNII
KKY2GVM6X4
Created by admin on Sat Dec 16 10:05:16 GMT 2023 , Edited by admin on Sat Dec 16 10:05:16 GMT 2023
PRIMARY
CAS
76138-70-0
Created by admin on Sat Dec 16 10:05:16 GMT 2023 , Edited by admin on Sat Dec 16 10:05:16 GMT 2023
PRIMARY
PUBCHEM
20447657
Created by admin on Sat Dec 16 10:05:16 GMT 2023 , Edited by admin on Sat Dec 16 10:05:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID301286412
Created by admin on Sat Dec 16 10:05:16 GMT 2023 , Edited by admin on Sat Dec 16 10:05:16 GMT 2023
PRIMARY