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-METHOXY-4-HYDROXYPHENYL)-4,4-DIMETHYL-1-PENTEN-3-OL

SMILES

COC1=C(O)C=CC(\C=C\C(O)C(C)(C)C)=C1

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(3-METHOXY-4-HYDROXYPHENYL)-4,4-DIMETHYL-1-PENTEN-3-OL
Systematic Name English
LS-104512
Code English
PHENOL, 4-(3-HYDROXY-4,4-DIMETHYL-1-PENTENYL)-2-METHOXY-
Systematic Name English
4-((E)-3-HYDROXY-4,4-DIMETHYLPENT-1-ENYL)-2-METHOXYPHENOL
Systematic Name English
4-(3-HYDROXY-4,4-DIMETHYL-1-PENTEN-1-YL)-2-METHOXYPHENOL
Systematic Name English
4-(4,4-DIMETHYL-3-HYDROXY-1-PENTENYL)-2-METHOXYPHENOL
Systematic Name English
STIRIPENTOL METABOLITE IV
Common Name English
P-HYDROXY STIRIPENTOL
Common Name English
4-HYDROXY STIRIPENTOL
Common Name English
PHENOL, 4-(3-HYDROXY-4,4-DIMETHYL-1-PENTEN-1-YL)-2-METHOXY-
Systematic Name English
AC1O64AJ
Code English
FT-0670123
Code English
Code System Code Type Description
PUBCHEM
6446397
Created by admin on Sat Dec 16 08:01:26 GMT 2023 , Edited by admin on Sat Dec 16 08:01:26 GMT 2023
PRIMARY
FDA UNII
76999ILB2K
Created by admin on Sat Dec 16 08:01:26 GMT 2023 , Edited by admin on Sat Dec 16 08:01:26 GMT 2023
PRIMARY
CAS
58344-42-6
Created by admin on Sat Dec 16 08:01:26 GMT 2023 , Edited by admin on Sat Dec 16 08:01:26 GMT 2023
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of STIRIPENTOL
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966