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

Details

Stereochemistry RACEMIC
Molecular Formula C12H18O
Molecular Weight 178.2707
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-Ethylphenyl)butan-1-ol

SMILES

CCC(CO)C1=CC=C(CC)C=C1

InChI

InChIKey=ALCFKGDNZCFGLU-UHFFFAOYSA-N
InChI=1S/C12H18O/c1-3-10-5-7-12(8-6-10)11(4-2)9-13/h5-8,11,13H,3-4,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H18O
Molecular Weight 178.2707
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 19:24:20 GMT 2025
Edited
by admin
on Wed Apr 02 19:24:20 GMT 2025
Record UNII
UYC67V7U8L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-Ethylphenyl)butan-1-ol
Systematic Name English
Benzeneethanol, ?,4-diethyl-
Preferred Name English
?,4-Diethylbenzeneethanol
Systematic Name English
Code System Code Type Description
PUBCHEM
118286
Created by admin on Wed Apr 02 19:24:20 GMT 2025 , Edited by admin on Wed Apr 02 19:24:20 GMT 2025
PRIMARY
CAS
36207-25-7
Created by admin on Wed Apr 02 19:24:20 GMT 2025 , Edited by admin on Wed Apr 02 19:24:20 GMT 2025
PRIMARY
FDA UNII
UYC67V7U8L
Created by admin on Wed Apr 02 19:24:20 GMT 2025 , Edited by admin on Wed Apr 02 19:24:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID70885644
Created by admin on Wed Apr 02 19:24:20 GMT 2025 , Edited by admin on Wed Apr 02 19:24:20 GMT 2025
PRIMARY