Summary

IMPPAT Phytochemical identifier: IMPHY017229

Phytochemical name: (3-Methyloxiran-2-yl)methanol

Synonymous chemical names:
(3-methyl-2-oxiranyl) methanol

External chemical identifiers:
CID:234485, SureChEMBL:SCHEMBL51213

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Chemical structure information

SMILES:
CC1OC1CO

InChI:
InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3

InChIKey:
QQHZNUPEBVRUFO-UHFFFAOYSA-N

DeepSMILES:
CCOC3CO

Functional groups:
CC1OC1C, 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: 2.409

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Chemical structure download