Summary

IMPPAT Phytochemical identifier: IMPHY013997

Phytochemical name: Benzene, (1,2-dimethoxyethyl)-

Synonymous chemical names:
1,2-dimethoxy ethylbenzene

External chemical identifiers:
CID:578105, SureChEMBL:SCHEMBL8095037

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Chemical structure information

SMILES:
COC(c1ccccc1)COC

InChI:
InChI=1S/C10H14O2/c1-11-8-10(12-2)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

InChIKey:
MCZSDTLZJNZORX-UHFFFAOYSA-N

DeepSMILES:
COCcccccc6))))))COC

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: 0.063

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Chemical structure download