Summary

IMPPAT Phytochemical identifier: IMPHY013751

Phytochemical name: Cyclohexanemethanol

Synonymous chemical names:
cyclohexylmethanol

External chemical identifiers:
CID:7507, ZINC:ZINC000001680819, FDASRS:4VDR6634UG, SureChEMBL:SCHEMBL20903, MolPort-001-779-796

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Chemical structure information

SMILES:
OCC1CCCCC1

InChI:
InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2

InChIKey:
VSSAZBXXNIABDN-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCC6

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 Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.49

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Chemical structure download