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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Phenylmethoxy)-3-pentanone, (2S)-

SMILES

CCC(=O)[C@H](C)OCC1=CC=CC=C1

InChI

InChIKey=DEOOBELFQJXOAE-JTQLQIEISA-N
InChI=1S/C12H16O2/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H16O2
Molecular Weight 192.2542
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:56:05 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:05 GMT 2023
Record UNII
MR7G4B3UU6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Phenylmethoxy)-3-pentanone, (2S)-
Systematic Name English
(S)-2-Benzyloxy-3-pentanone
Systematic Name English
3-Pentanone, 2-(phenylmethoxy)-, (2S)-
Systematic Name English
(2S)-2-(Phenylmethoxy)-3-pentanone
Systematic Name English
(S)-(-)-2-(Benzyloxy)-3-pentanone
Systematic Name English
(2S)-2-Benzyloxy-3-pentanone
Systematic Name English
Code System Code Type Description
FDA UNII
MR7G4B3UU6
Created by admin on Sat Dec 16 19:56:05 GMT 2023 , Edited by admin on Sat Dec 16 19:56:05 GMT 2023
PRIMARY
PUBCHEM
10932277
Created by admin on Sat Dec 16 19:56:05 GMT 2023 , Edited by admin on Sat Dec 16 19:56:05 GMT 2023
PRIMARY
CAS
132489-33-9
Created by admin on Sat Dec 16 19:56:05 GMT 2023 , Edited by admin on Sat Dec 16 19:56:05 GMT 2023
PRIMARY