Summary

IMPPAT Phytochemical identifier: IMPHY006556

Phytochemical name: 2-Ethylphenol

Synonymous chemical names:
2-ethyl phenol, 2-ethylphenol, ethyl-phenol

External chemical identifiers:
CID:6997, ChEMBL:CHEMBL321029, ChEBI:34275, ZINC:ZINC000001706027, FDASRS:355O0P4JU7, SureChEMBL:SCHEMBL51108, MolPort-001-791-601

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Chemical structure information

SMILES:
CCc1ccccc1O

InChI:
InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3

InChIKey:
IXQGCWUGDFDQMF-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6O

Functional groups:
cO

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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: Phenols

ClassyFire Subclass: 1-hydroxy-4-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 0.348

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Chemical structure download