Summary

IMPPAT Phytochemical identifier: IMPHY005332

Phytochemical name: (2-Methoxyethyl)benzene

Synonymous chemical names:
2-phenethyl methyl ether, 2-phenyl ethyl methyl ether, 2-phenylethyl methyl ether

External chemical identifiers:
CID:19089, ChEMBL:CHEMBL4528537, ZINC:ZINC000001574322, FDASRS:79089Z2R3S, SureChEMBL:SCHEMBL58391, MolPort-001-784-008

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Chemical structure information

SMILES:
COCCc1ccccc1

InChI:
InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey:
CQLYXIUHVFRXLT-UHFFFAOYSA-N

DeepSMILES:
COCCcccccc6

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

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.268

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Chemical structure download