Summary

IMPPAT Phytochemical identifier: IMPHY007039

Phytochemical name: Acetophenone

Synonymous chemical names:
(r)acetophenone, acethophenone, acetophenone, acetophenone*

External chemical identifiers:
CID:7410, ChEMBL:CHEMBL274467, ChEBI:27632, ZINC:ZINC000000896628, FDASRS:RK493WHV10, SureChEMBL:SCHEMBL737, MolPort-000-871-218

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Chemical structure information

SMILES:
CC(=O)c1ccccc1

InChI:
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

InChIKey:
KWOLFJPFCHCOCG-UHFFFAOYSA-N

DeepSMILES:
CC=O)cccccc6

Functional groups:
cC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.51

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Chemical structure download