Summary

IMPPAT Phytochemical identifier: IMPHY016948

Phytochemical name: (2-(1-Ethoxyethoxy)ethyl)benzene

Synonymous chemical names:
hyacinth body

External chemical identifiers:
CID:102849, FDASRS:Z7156Q4C3R, SureChEMBL:SCHEMBL585803, MolPort-006-114-493

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Chemical structure information

SMILES:
CCOC(OCCc1ccccc1)C

InChI:
InChI=1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3

InChIKey:
QQDGMPOYFGNLMT-UHFFFAOYSA-N

DeepSMILES:
CCOCOCCcccccc6)))))))))C

Functional groups:
COC(C)OC

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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: 0.154

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Chemical structure download