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

Details

Stereochemistry RACEMIC
Molecular Formula C14H20O3
Molecular Weight 236.3068
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-HYDROXY-4-METHOXYPHENYL)-4,4-DIMETHYL-1-PENTEN-3-OL

SMILES

COC1=CC=C(\C=C\C(O)C(C)(C)C)C=C1O

InChI

InChIKey=OJUDKMZUVCHKMB-SOFGYWHQSA-N
InChI=1S/C14H20O3/c1-14(2,3)13(16)8-6-10-5-7-12(17-4)11(15)9-10/h5-9,13,15-16H,1-4H3/b8-6+

HIDE SMILES / InChI

Approval Year

Name Type Language
1-(3-HYDROXY-4-METHOXYPHENYL)-4,4-DIMETHYL-1-PENTEN-3-OL
Systematic Name English
AC1O64AG
Preferred Name English
STIRIPENTOL METABOLITE III
Common Name English
LS-104513
Code English
PHENOL, 5-(3-HYDROXY-4,4-DIMETHYL-1-PENTEN-1-YL)-2-METHOXY-
Systematic Name English
5-(4,4-DIMETHYL-3-HYDROXY-1-PENTENYL)-2-METHOXYPHENOL
Systematic Name English
PHENOL, 5-(3-HYDROXY-4,4-DIMETHYL-1-PENTENYL)-2-METHOXY-
Systematic Name English
5-((E)-3-HYDROXY-4,4-DIMETHYLPENT-1-ENYL)-2-METHOXYPHENOL
Systematic Name English
Code System Code Type Description
CAS
58344-41-5
Created by admin on Mon Mar 31 22:13:28 GMT 2025 , Edited by admin on Mon Mar 31 22:13:28 GMT 2025
PRIMARY
PUBCHEM
6446396
Created by admin on Mon Mar 31 22:13:28 GMT 2025 , Edited by admin on Mon Mar 31 22:13:28 GMT 2025
PRIMARY
FDA UNII
DJ4WL3L9GU
Created by admin on Mon Mar 31 22:13:28 GMT 2025 , Edited by admin on Mon Mar 31 22:13:28 GMT 2025
PRIMARY