Summary

IMPPAT Phytochemical identifier: IMPHY009977

Phytochemical name: Cyclohexanol

Synonymous chemical names:
cyclohexanol, cyclohexyl alcohol

External chemical identifiers:
CID:7966, ChEMBL:CHEMBL32010, ChEBI:18099, ZINC:ZINC000001532765, FDASRS:8E7S519M3P, SureChEMBL:SCHEMBL5545, MolPort-001-783-729

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Chemical structure information

SMILES:
OC1CCCCC1

InChI:
InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

InChIKey:
HPXRVTGHNJAIIH-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6

Functional groups:
CO

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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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.75

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Chemical structure download