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

Details

Stereochemistry RACEMIC
Molecular Formula C10H12O2
Molecular Weight 164.2011
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-4-PHENYLBUTAN-2-ONE

SMILES

CC(=O)C(O)CC1=CC=CC=C1

InChI

InChIKey=QBCUUJGHWFKMDC-UHFFFAOYSA-N
InChI=1S/C10H12O2/c1-8(11)10(12)7-9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H12O2
Molecular Weight 164.2011
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 22:46:27 GMT 2023
Edited
by admin
on Fri Dec 15 22:46:27 GMT 2023
Record UNII
EP0R730B2H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-4-PHENYLBUTAN-2-ONE
FHFI  
Systematic Name English
3-HYDROXY-4-PHENYL-2-BUTANONE
Systematic Name English
FEMA NO. 4052
Code English
4-PHENYL-3-HYDROXYBUTAN-2-ONE
Systematic Name English
3-HYDROXY-4-PHENYLBUTAN-2-ONE [FHFI]
Common Name English
2-BUTANONE, 3-HYDROXY-4-PHENYL-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-HYDROXY-4-PHENYLBUTAN-2-ONE
Created by admin on Fri Dec 15 22:46:27 GMT 2023 , Edited by admin on Fri Dec 15 22:46:27 GMT 2023
Code System Code Type Description
FDA UNII
EP0R730B2H
Created by admin on Fri Dec 15 22:46:27 GMT 2023 , Edited by admin on Fri Dec 15 22:46:27 GMT 2023
PRIMARY
PUBCHEM
6428929
Created by admin on Fri Dec 15 22:46:27 GMT 2023 , Edited by admin on Fri Dec 15 22:46:27 GMT 2023
PRIMARY
CAS
5355-63-5
Created by admin on Fri Dec 15 22:46:27 GMT 2023 , Edited by admin on Fri Dec 15 22:46:27 GMT 2023
PRIMARY
JECFA MONOGRAPH
2019
Created by admin on Fri Dec 15 22:46:27 GMT 2023 , Edited by admin on Fri Dec 15 22:46:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID20968310
Created by admin on Fri Dec 15 22:46:27 GMT 2023 , Edited by admin on Fri Dec 15 22:46:27 GMT 2023
PRIMARY