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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H18O4
Molecular Weight 286.3224
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-ETHOXY-6-((4-METHOXYPHENYL)METHYL)-1,3-BENZODIOXOLE

SMILES

CCOC1=C(CC2=CC=C(OC)C=C2)C=C3OCOC3=C1

InChI

InChIKey=UJCODZLQXNZQPJ-UHFFFAOYSA-N
InChI=1S/C17H18O4/c1-3-19-15-10-17-16(20-11-21-17)9-13(15)8-12-4-6-14(18-2)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H18O4
Molecular Weight 286.3224
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 Sat Dec 16 12:45:36 GMT 2023
Edited
by admin
on Sat Dec 16 12:45:36 GMT 2023
Record UNII
R1FD27RU7L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-ETHOXY-6-((4-METHOXYPHENYL)METHYL)-1,3-BENZODIOXOLE
Systematic Name English
5-ETHOXY-6-(4-METHOXYPHENYLMETHYL)-1,3-BENZODIOXOLE
Systematic Name English
J-2581
Code English
1,3-BENZODIOXOLE, 5-ETHOXY-6-((4-METHOXYPHENYL)METHYL)-
Systematic Name English
NSC-321584
Code English
AI-3-53024
Code English
Code System Code Type Description
CAS
71712-08-8
Created by admin on Sat Dec 16 12:45:36 GMT 2023 , Edited by admin on Sat Dec 16 12:45:36 GMT 2023
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FDA UNII
R1FD27RU7L
Created by admin on Sat Dec 16 12:45:36 GMT 2023 , Edited by admin on Sat Dec 16 12:45:36 GMT 2023
PRIMARY
NSC
321584
Created by admin on Sat Dec 16 12:45:36 GMT 2023 , Edited by admin on Sat Dec 16 12:45:36 GMT 2023
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EPA CompTox
DTXSID20221932
Created by admin on Sat Dec 16 12:45:36 GMT 2023 , Edited by admin on Sat Dec 16 12:45:36 GMT 2023
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PUBCHEM
100578
Created by admin on Sat Dec 16 12:45:36 GMT 2023 , Edited by admin on Sat Dec 16 12:45:36 GMT 2023
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