Summary

IMPPAT Phytochemical identifier: IMPHY002873

Phytochemical name: 2-Ethyl-2,3-epoxypropanol

Synonymous chemical names:
(2r)-2-ethyl-2,3-epoxypropanol, (2s)-2-ethyl-2,3-epoxypropanol

External chemical identifiers:
CID:14478661, SureChEMBL:SCHEMBL1467145

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Chemical structure information

SMILES:
CCC1(CO)CO1

InChI:
InChI=1S/C5H10O2/c1-2-5(3-6)4-7-5/h6H,2-4H2,1H3

InChIKey:
NXPXQOGPODGJKY-UHFFFAOYSA-N

DeepSMILES:
CCCCO))CO3

Functional groups:
CC1(C)CO1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Epoxides

NP-Likeness score: 2.213

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Chemical structure download