Summary

IMPPAT Phytochemical identifier: IMPHY003469

Phytochemical name: 4-Ethylphenol

Synonymous chemical names:
4-ethylphenol, p-ethylphenol

External chemical identifiers:
CID:31242, ChEMBL:CHEMBL108475, ChEBI:49584, ZINC:ZINC000001690956, FDASRS:AGG7E6G0ZC, SureChEMBL:SCHEMBL28713, MolPort-001-783-219

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Chemical structure information

SMILES:
CCc1ccc(cc1)O

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

InChIKey:
HXDOZKJGKXYMEW-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6))O

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-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.046

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Chemical structure download