Summary

IMPPAT Phytochemical identifier: IMPHY016228

Phytochemical name: 2-Ethyl-4-methylphenol

Synonymous chemical names:
2-ethyl-4-methylphenol

External chemical identifiers:
CID:77462, ZINC:ZINC000005688568, FDASRS:L4679W99NC, SureChEMBL:SCHEMBL1023280, MolPort-006-115-750

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Chemical structure information

SMILES:
CCc1cc(C)ccc1O

InChI:
InChI=1S/C9H12O/c1-3-8-6-7(2)4-5-9(8)10/h4-6,10H,3H2,1-2H3

InChIKey:
AVVVXUXMKWPKAJ-UHFFFAOYSA-N

DeepSMILES:
CCcccC)ccc6O

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: Cresols

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: -0.138

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Chemical structure download