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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H21ClO
Molecular Weight 240.769
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-4-(1,1,3,3-tetramethylbutyl)phenol

SMILES

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

InChI

InChIKey=CLYCAZNGUGDEBH-UHFFFAOYSA-N
InChI=1S/C14H21ClO/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10/h6-8,16H,9H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C14H21ClO
Molecular Weight 240.769
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 Tue Apr 01 19:36:24 GMT 2025
Edited
by admin
on Tue Apr 01 19:36:24 GMT 2025
Record UNII
DKB6SR9SPN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Chloro-4-(1,1,3,3-tetramethylbutyl)phenol
Systematic Name English
NSC-9891
Preferred Name English
2-Chloro-4-(2,4,4-trimethylpentan-2-yl)phenol
Systematic Name English
Phenol, 2-chloro-4-(1,1,3,3-tetramethylbutyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
28396
Created by admin on Tue Apr 01 19:36:24 GMT 2025 , Edited by admin on Tue Apr 01 19:36:24 GMT 2025
PRIMARY
FDA UNII
DKB6SR9SPN
Created by admin on Tue Apr 01 19:36:24 GMT 2025 , Edited by admin on Tue Apr 01 19:36:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID4066173
Created by admin on Tue Apr 01 19:36:24 GMT 2025 , Edited by admin on Tue Apr 01 19:36:24 GMT 2025
PRIMARY
CAS
17199-24-5
Created by admin on Tue Apr 01 19:36:24 GMT 2025 , Edited by admin on Tue Apr 01 19:36:24 GMT 2025
PRIMARY
NSC
9891
Created by admin on Tue Apr 01 19:36:24 GMT 2025 , Edited by admin on Tue Apr 01 19:36:24 GMT 2025
PRIMARY