1-(3-METHOXY-4-HYDROXYPHENYL)-4,4-DIMETHYL-3-PENTANONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H20O3
Molecular Weight	236.3068
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(3-METHOXY-4-HYDROXYPHENYL)-4,4-DIMETHYL-3-PENTANONE

Structure Search

SMILES

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

InChI

InChIKey=UQICWCMGJKDDEK-UHFFFAOYSA-N

InChI=1S/C14H20O3/c1-14(2,3)13(16)8-6-10-5-7-11(15)12(9-10)17-4/h5,7,9,15H,6,8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C14H20O3
Molecular Weight	236.3068
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:27:18 GMT 2025` Edited by `admin` on `Mon Mar 31 23:27:18 GMT 2025`
Record UNII	CO42C6LWRW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACMC-20M9S8

Preferred Name

English

1-(3-METHOXY-4-HYDROXYPHENYL)-4,4-DIMETHYL-3-PENTANONE

Systematic Name

English

3-PENTANONE, 1-(4-HYDROXY-3-METHOXYPHENYL)-4,4-DIMETHYL-

Systematic Name

English

STIRIPENTOL METABOLITE XI

Common Name

English

CTK0G3710

Code

English

1-(4-HYDROXY-3-METHOXYPHENYL)-4,4-DIMETHYLPENTAN-3-ONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90762307

Created by admin on Mon Mar 31 23:27:18 GMT 2025 , Edited by admin on Mon Mar 31 23:27:18 GMT 2025

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FDA UNII

CO42C6LWRW

Created by admin on Mon Mar 31 23:27:18 GMT 2025 , Edited by admin on Mon Mar 31 23:27:18 GMT 2025

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CAS

106174-97-4

Created by admin on Mon Mar 31 23:27:18 GMT 2025 , Edited by admin on Mon Mar 31 23:27:18 GMT 2025

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PUBCHEM

71334151

Created by admin on Mon Mar 31 23:27:18 GMT 2025 , Edited by admin on Mon Mar 31 23:27:18 GMT 2025

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PARENT -> METABOLITE INACTIVE