3-pentyl-1,3-dihydro-2-benzofuran-1-one

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

Structure Search

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 `Wed Apr 02 17:17:22 GMT 2025` Edited by `admin` on `Wed Apr 02 17:17:22 GMT 2025`
Record UNII	25ND2763MB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1(3H)-Isobenzofuranone, 3-pentyl

Preferred Name

English

3-pentyl-1,3-dihydro-2-benzofuran-1-one

Systematic Name

English

3-pentylisobenzofuran-1(3H)-one

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 Wed Apr 02 17:17:22 GMT 2025 , Edited by admin on Wed Apr 02 17:17:22 GMT 2025

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CAS

111943-62-5

Created by admin on Wed Apr 02 17:17:22 GMT 2025 , Edited by admin on Wed Apr 02 17:17:22 GMT 2025

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EPA CompTox

DTXSID40551349

Created by admin on Wed Apr 02 17:17:22 GMT 2025 , Edited by admin on Wed Apr 02 17:17:22 GMT 2025

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FDA UNII

25ND2763MB

Created by admin on Wed Apr 02 17:17:22 GMT 2025 , Edited by admin on Wed Apr 02 17:17:22 GMT 2025

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