4-METHYL-1-PHENYLPENTAN-3-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16O
Molecular Weight	176.2548
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYL-1-PHENYLPENTAN-3-ONE

Structure Search

SMILES

CC(C)C(=O)CCC1=CC=CC=C1

InChI

InChIKey=QATHVLKLWVUSRC-UHFFFAOYSA-N

InChI=1S/C12H16O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H16O
Molecular Weight	176.2548
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 18:46:10 GMT 2025` Edited by `admin` on `Tue Apr 01 18:46:10 GMT 2025`
Record UNII	J80Z7D1K94
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-METHYL-1-PHENYLPENTAN-3-ONE

Systematic Name

English

3-PENTANONE, 4-METHYL-1-PHENYL-

Preferred Name

English

2-METHYL-5-PHENYL-3-PENTANONE

Systematic Name

English

4-METHYL-1-PHENYL-3-PENTANONE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

254-930-9

Created by admin on Tue Apr 01 18:46:10 GMT 2025 , Edited by admin on Tue Apr 01 18:46:10 GMT 2025

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PUBCHEM

170307

Created by admin on Tue Apr 01 18:46:10 GMT 2025 , Edited by admin on Tue Apr 01 18:46:10 GMT 2025

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CAS

40463-09-0

Created by admin on Tue Apr 01 18:46:10 GMT 2025 , Edited by admin on Tue Apr 01 18:46:10 GMT 2025

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FDA UNII

J80Z7D1K94

Created by admin on Tue Apr 01 18:46:10 GMT 2025 , Edited by admin on Tue Apr 01 18:46:10 GMT 2025

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EPA CompTox

DTXSID1068229

Created by admin on Tue Apr 01 18:46:10 GMT 2025 , Edited by admin on Tue Apr 01 18:46:10 GMT 2025

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