Summary

IMPPAT Phytochemical identifier: IMPHY013792

Phytochemical name: (1-Methoxyethyl)benzene

Synonymous chemical names:
1-methoxyethylbenzene

External chemical identifiers:
CID:19913, SureChEMBL:SCHEMBL57510

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Chemical structure information

SMILES:
COC(c1ccccc1)C

InChI:
InChI=1S/C9H12O/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey:
PLKSMSKTENNPEJ-UHFFFAOYSA-N

DeepSMILES:
COCcccccc6))))))C

Functional groups:
COC

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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: Benzylethers

NP-Likeness score: -0.409

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Chemical structure download