Summary

IMPPAT Phytochemical identifier: IMPHY015371

Phytochemical name: 4-Ethylbenzaldehyde

Synonymous chemical names:
4-ethylbenzaldehyde, p-ethylbenzaldehyde

External chemical identifiers:
CID:20861, ChEMBL:CHEMBL1887227, ChEBI:167400, ZINC:ZINC000002003388, FDASRS:289PPW3SG4, SureChEMBL:SCHEMBL154747, MolPort-000-871-181

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Chemical structure information

SMILES:
CCc1ccc(cc1)C=O

InChI:
InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3

InChIKey:
QNGNSVIICDLXHT-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6))C=O

Functional groups:
cC=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: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoyl derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.21

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Chemical structure download