Summary

IMPPAT Phytochemical identifier: IMPHY016819

Phytochemical name: 2-Phenoxyethanol

Synonymous chemical names:
phenoxyethanol

External chemical identifiers:
CID:31236, ChEMBL:CHEMBL1229846, ChEBI:64275, ZINC:ZINC000001577061, FDASRS:HIE492ZZ3T, SureChEMBL:SCHEMBL15708, MolPort-001-768-719

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Chemical structure information

SMILES:
OCCOc1ccccc1

InChI:
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey:
QCDWFXQBSFUVSP-UHFFFAOYSA-N

DeepSMILES:
OCCOcccccc6

Functional groups:
CO, 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: Phenol ethers

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.306

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Chemical structure download