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Details

Stereochemistry RACEMIC
Molecular Formula C13H16O2
Molecular Weight 204.2649
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-pentyl-1,3-dihydro-2-benzofuran-1-one

SMILES

CCCCCC1OC(=O)C2=CC=CC=C12

InChI

InChIKey=BQUYONPOMYBMQZ-UHFFFAOYSA-N
InChI=1S/C13H16O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h5-8,12H,2-4,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H16O2
Molecular Weight 204.2649
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:47:37 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:37 GMT 2023
Record UNII
25ND2763MB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-pentyl-1,3-dihydro-2-benzofuran-1-one
Systematic Name English
3-pentylisobenzofuran-1(3H)-one
Systematic Name English
1(3H)-Isobenzofuranone, 3-pentyl
Systematic Name English
3-Pentylphthalide
Systematic Name English
3-Pentyl-1(3H)-isobenzofuranone
Systematic Name English
Code System Code Type Description
PUBCHEM
13860624
Created by admin on Sat Dec 16 19:47:37 GMT 2023 , Edited by admin on Sat Dec 16 19:47:37 GMT 2023
PRIMARY
CAS
111943-62-5
Created by admin on Sat Dec 16 19:47:37 GMT 2023 , Edited by admin on Sat Dec 16 19:47:37 GMT 2023
PRIMARY
FDA UNII
25ND2763MB
Created by admin on Sat Dec 16 19:47:37 GMT 2023 , Edited by admin on Sat Dec 16 19:47:37 GMT 2023
PRIMARY