Summary

IMPPAT Phytochemical identifier: IMPHY016305

Phytochemical name: 1-(Benzyloxy)-2,4-difluorobenzene

Synonymous chemical names:
2,4-difluorobenzene 1-benzyloxy

External chemical identifiers:
CID:561269, ZINC:ZINC000036719661, SureChEMBL:SCHEMBL412514, MolPort-009-014-630

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Chemical structure information

SMILES:
Fc1ccc(c(c1)F)OCc1ccccc1

InChI:
InChI=1S/C13H10F2O/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2

InChIKey:
SUJMBSRZMAZPOY-UHFFFAOYSA-N

DeepSMILES:
Fcccccc6)F))OCcccccc6

Functional groups:
cF, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(COc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(COC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -1.43

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Chemical structure download