Summary

IMPPAT Phytochemical identifier: IMPHY016223

Phytochemical name: 2-Cyclohexen-1-OL

Synonymous chemical names:
2-cyclohexen-1-ol

External chemical identifiers:
CID:13198, SureChEMBL:SCHEMBL107504, MolPort-001-793-096

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Chemical structure information

SMILES:
OC1CCCC=C1

InChI:
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2

InChIKey:
PQANGXXSEABURG-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=C6

Functional groups:
CC=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP-Likeness score: 2.872

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Chemical structure download