Summary

IMPPAT Phytochemical identifier: IMPHY016798

Phytochemical name: 4'-Ethylacetophenone

Synonymous chemical names:
p-ethylacetophenone

External chemical identifiers:
CID:13642, ZINC:ZINC000001866980, FDASRS:LSA7B53YDO, SureChEMBL:SCHEMBL334751, MolPort-000-150-401

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Chemical structure information

SMILES:
CCc1ccc(cc1)C(=O)C

InChI:
InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3

InChIKey:
NODGRWCMFMEGJH-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6))C=O)C

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: -0.741

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Chemical structure download