Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014643

Phytochemical name: 2,5-Diethylphenol

Synonymous chemical names:
2,5-diethylphenol

External chemical identifiers:
CID:CID_33658, FDASRS:XQ1WLB600M, SureChEMBL:SCHEMBL593741

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Chemical structure information

SMILES:
CCc1ccc(c(c1)O)CC

InChI:
InChI=1S/C10H14O/c1-3-8-5-6-9(4-2)10(11)7-8/h5-7,11H,3-4H2,1-2H3

InChIKey:
AQFCDVGUEQOTAC-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6)O))CC

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: 0.357

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Chemical structure download