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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=C(O)C=C(C=C1)\C=C\C(O)C(C)(C)C

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

Unknown
139594
Name Type Language
1-(3-HYDROXY-4-METHOXYPHENYL)-4,4-DIMETHYL-1-PENTEN-3-OL
Systematic 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
AC1O64AG
Code 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 Sat Dec 16 08:38:17 GMT 2023 , Edited by admin on Sat Dec 16 08:38:17 GMT 2023
PRIMARY
PUBCHEM
6446396
Created by admin on Sat Dec 16 08:38:17 GMT 2023 , Edited by admin on Sat Dec 16 08:38:17 GMT 2023
PRIMARY
FDA UNII
DJ4WL3L9GU
Created by admin on Sat Dec 16 08:38:17 GMT 2023 , Edited by admin on Sat Dec 16 08:38:17 GMT 2023
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of STIRIPENTOL
NIH
NCATS
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