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Details

Stereochemistry ACHIRAL
Molecular Formula C16H16O5
Molecular Weight 288.2952
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2,4-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)-1-PROPANONE

SMILES

COC1=CC=C(CCC(=O)C2=CC=C(O)C=C2O)C=C1O

InChI

InChIKey=GCOFCBCRRXZXNC-UHFFFAOYSA-N
InChI=1S/C16H16O5/c1-21-16-7-3-10(8-15(16)20)2-6-13(18)12-5-4-11(17)9-14(12)19/h3-5,7-9,17,19-20H,2,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H16O5
Molecular Weight 288.2952
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 Wed Apr 02 00:38:02 GMT 2025
Edited
by admin
on Wed Apr 02 00:38:02 GMT 2025
Record UNII
8WK949P559
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2,4-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)-1-PROPANONE
Systematic Name English
FEMA NO. 4764
Preferred Name English
1-PROPANONE, 1-(2,4-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)-
Systematic Name English
1-(2,4-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)PROPAN-1-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
8WK949P559
Created by admin on Wed Apr 02 00:38:02 GMT 2025 , Edited by admin on Wed Apr 02 00:38:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID90615748
Created by admin on Wed Apr 02 00:38:02 GMT 2025 , Edited by admin on Wed Apr 02 00:38:02 GMT 2025
PRIMARY
JECFA MONOGRAPH
2182
Created by admin on Wed Apr 02 00:38:02 GMT 2025 , Edited by admin on Wed Apr 02 00:38:02 GMT 2025
PRIMARY
CAS
50297-39-7
Created by admin on Wed Apr 02 00:38:02 GMT 2025 , Edited by admin on Wed Apr 02 00:38:02 GMT 2025
PRIMARY
PUBCHEM
21540063
Created by admin on Wed Apr 02 00:38:02 GMT 2025 , Edited by admin on Wed Apr 02 00:38:02 GMT 2025
PRIMARY