Summary

IMPPAT Phytochemical identifier: IMPHY015328

Phytochemical name: 3-Cyclohexene-1-methanol

Synonymous chemical names:
3-cyclohexene-1-methanol

External chemical identifiers:
CID:15512, ChEMBL:CHEMBL3188995, FDASRS:94R6Y1S77F, SureChEMBL:SCHEMBL628623, MolPort-001-791-415

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Chemical structure information

SMILES:
OCC1CCC=CC1

InChI:
InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2

InChIKey:
VEIYJWQZNGASMA-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=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: 1.091

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Chemical structure download