Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013554

Phytochemical name: (2,2-Dimethoxyethyl)benzene

Synonymous chemical names:
viridine [benzene (2,2-di-methoxy ethyl)]

External chemical identifiers:
CID:CID_60995, ChEMBL:CHEMBL3185401, ZINC:ZINC000000391851, FDASRS:P8C94L4MUR, SureChEMBL:SCHEMBL112281, MolPort-003-939-026

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Chemical structure information

SMILES:
COC(Cc1ccccc1)OC

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

InChIKey:
WNJSKZBEWNVKGU-UHFFFAOYSA-N

DeepSMILES:
COCCcccccc6)))))))OC

Functional groups:
COC(C)OC

Link to spectral information:
MSBNK-EPA-ENTACT_AGILENT001662, MSBNK-EPA-ENTACT_AGILENT001663

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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

NP-Likeness score: 0.054

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Chemical structure download