Summary

IMPPAT Phytochemical identifier: IMPHY017174

Phytochemical name: 2-Ethyl-m-xylene

Synonymous chemical names:
1,3-dimethyl-2-ethylbenzene, 2-ethyl-1,3-dimethylbenzene

External chemical identifiers:
CID:17877, ZINC:ZINC000002011563, SureChEMBL:SCHEMBL597056

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Chemical structure information

SMILES:
CCc1c(C)cccc1C

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

InChIKey:
CHIKRULMSSADAF-UHFFFAOYSA-N

DeepSMILES:
CCccC)cccc6C

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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: -0.356

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Chemical structure download