Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017449

Phytochemical name: 2-Ethyl-4,5-dimethylphenol

Synonymous chemical names:
3,4-xylenol,6-ethyl-, 2-ethyl-4,5-dimethyl-phenol1278, 2.ethyl-4.5-dimethylphenol

External chemical identifiers:
CID:CID_247477, ZINC:ZINC000001691007, SureChEMBL:SCHEMBL4092415, MolPort-001-791-542

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Chemical structure information

SMILES:
CCc1cc(C)c(cc1O)C

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

InChIKey:
ZUDAICPAUJSPHK-UHFFFAOYSA-N

DeepSMILES:
CCcccC)ccc6O)))C

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-Likeness score: 0.081

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Chemical structure download