Summary

IMPPAT Phytochemical identifier: IMPHY006005

Phytochemical name: Dibenzyl ether

Synonymous chemical names:
benzylether

External chemical identifiers:
CID:7657, ChEMBL:CHEMBL152299, ChEBI:87411, ZINC:ZINC000001687322, FDASRS:2O6CNO27RJ, SureChEMBL:SCHEMBL27380, MolPort-001-789-586

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Chemical structure information

SMILES:
O(Cc1ccccc1)Cc1ccccc1

InChI:
InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey:
MHDVGSVTJDSBDK-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6)))))))Ccccccc6

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(COCc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(COCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzylethers

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.352

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Chemical structure download