Summary

IMPPAT Phytochemical identifier: IMPHY015260

Phytochemical name: 2-Ethyl-p-xylene

Synonymous chemical names:
2-ethyl-p-xylene

External chemical identifiers:
CID:15653, ZINC:ZINC000001699570, SureChEMBL:SCHEMBL269825, MolPort-001-786-654

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Chemical structure information

SMILES:
CCc1cc(C)ccc1C

InChI:
InChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3

InChIKey:
AXIUBBVSOWPLDA-UHFFFAOYSA-N

DeepSMILES:
CCcccC)ccc6C

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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: Benzene and substituted derivatives

ClassyFire Subclass: Xylenes

NP-Likeness score: -0.873

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Chemical structure download