Summary

IMPPAT Phytochemical identifier: IMPHY016587

Phytochemical name: 3-Cyclohexen-1-ol

Synonymous chemical names:
cyclohex-3-en-1-ol, cyclohex-3-en-ol

External chemical identifiers:
CID:556685, SureChEMBL:SCHEMBL215207, MolPort-028-600-499

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Chemical structure information

SMILES:
OC1CCC=CC1

InChI:
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2

InChIKey:
ABZZOPIABWYXSN-UHFFFAOYSA-N

DeepSMILES:
OCCCC=CC6

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: 2.261

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Chemical structure download