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Details

Stereochemistry ACHIRAL
Molecular Formula C15H22O3
Molecular Weight 250.3334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate

SMILES

COC(=O)CCC1=CC(C)=C(O)C(=C1)C(C)(C)C

InChI

InChIKey=FQCQJBVYSORVEW-UHFFFAOYSA-N
InChI=1S/C15H22O3/c1-10-8-11(6-7-13(16)18-5)9-12(14(10)17)15(2,3)4/h8-9,17H,6-7H2,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate
Preferred Name English
methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
Systematic Name English
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
165455
Created by admin on Mon Mar 31 18:51:59 GMT 2025 , Edited by admin on Mon Mar 31 18:51:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID5073371
Created by admin on Mon Mar 31 18:51:59 GMT 2025 , Edited by admin on Mon Mar 31 18:51:59 GMT 2025
PRIMARY
FDA UNII
CL7N9V8CHW
Created by admin on Mon Mar 31 18:51:59 GMT 2025 , Edited by admin on Mon Mar 31 18:51:59 GMT 2025
PRIMARY
CAS
6386-39-6
Created by admin on Mon Mar 31 18:51:59 GMT 2025 , Edited by admin on Mon Mar 31 18:51:59 GMT 2025
PRIMARY
NIH
NCATS
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