4-(4-Octyloxyphenyl)benzonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H25NO
Molecular Weight	307.4293
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(4-Octyloxyphenyl)benzonitrile

Structure Search

SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChIKey=GPGGNNIMKOVSAG-UHFFFAOYSA-N

InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3

HIDE SMILES / InChI

Molecular Formula	C21H25NO
Molecular Weight	307.4293
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 `Tue Apr 01 17:09:50 GMT 2025` Edited by `admin` on `Tue Apr 01 17:09:50 GMT 2025`
Record UNII	DS9F86ARY6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

[1,1?-Biphenyl]-4-carbonitrile, 4?-(octyloxy)-

Preferred Name

English

4-(4-Octyloxyphenyl)benzonitrile

Systematic Name

English

4?-(Octyloxy)[1,1?-biphenyl]-4-carbonitrile

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

257-878-5

Created by admin on Tue Apr 01 17:09:50 GMT 2025 , Edited by admin on Tue Apr 01 17:09:50 GMT 2025

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FDA UNII

DS9F86ARY6

Created by admin on Tue Apr 01 17:09:50 GMT 2025 , Edited by admin on Tue Apr 01 17:09:50 GMT 2025

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CAS

52364-73-5

Created by admin on Tue Apr 01 17:09:50 GMT 2025 , Edited by admin on Tue Apr 01 17:09:50 GMT 2025

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EPA CompTox

DTXSID9068748

Created by admin on Tue Apr 01 17:09:50 GMT 2025 , Edited by admin on Tue Apr 01 17:09:50 GMT 2025

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PUBCHEM

104173

Created by admin on Tue Apr 01 17:09:50 GMT 2025 , Edited by admin on Tue Apr 01 17:09:50 GMT 2025

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