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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9ClO
Molecular Weight 156.609
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Chlorophenyl)ethanol

SMILES

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

InChI

InChIKey=MVOSNPUNXINWAD-UHFFFAOYSA-N
InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3

HIDE SMILES / InChI

Molecular Formula C8H9ClO
Molecular Weight 156.609
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:17:54 GMT 2025
Edited
by admin
on Wed Apr 02 21:17:54 GMT 2025
Record UNII
Y35SM392RP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-87867
Preferred Name English
1-(4-Chlorophenyl)ethanol
Systematic Name English
4-Chloro-?-methylbenzenemethanol
Systematic Name English
Benzenemethanol, 4-chloro-?-methyl-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60871854
Created by admin on Wed Apr 02 21:17:54 GMT 2025 , Edited by admin on Wed Apr 02 21:17:54 GMT 2025
PRIMARY
CAS
3391-10-4
Created by admin on Wed Apr 02 21:17:54 GMT 2025 , Edited by admin on Wed Apr 02 21:17:54 GMT 2025
PRIMARY
NSC
87867
Created by admin on Wed Apr 02 21:17:54 GMT 2025 , Edited by admin on Wed Apr 02 21:17:54 GMT 2025
PRIMARY
PUBCHEM
18825
Created by admin on Wed Apr 02 21:17:54 GMT 2025 , Edited by admin on Wed Apr 02 21:17:54 GMT 2025
PRIMARY
FDA UNII
Y35SM392RP
Created by admin on Wed Apr 02 21:17:54 GMT 2025 , Edited by admin on Wed Apr 02 21:17:54 GMT 2025
PRIMARY
ECHA (EC/EINECS)
222-223-4
Created by admin on Wed Apr 02 21:17:54 GMT 2025 , Edited by admin on Wed Apr 02 21:17:54 GMT 2025
PRIMARY