Summary

IMPPAT Phytochemical identifier: IMPHY013767

Phytochemical name: Benzyl ethyl ether

Synonymous chemical names:
(ethoxymethyl)benzene, benzyl ethyl ether

External chemical identifiers:
CID:10873, ZINC:ZINC000001586382, FDASRS:5Y0D90XR7K, SureChEMBL:SCHEMBL16478, MolPort-001-788-460

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Chemical structure information

SMILES:
CCOCc1ccccc1

InChI:
InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey:
AXPZDYVDTMMLNB-UHFFFAOYSA-N

DeepSMILES:
CCOCcccccc6

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: -0.704

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Chemical structure download