Summary

IMPPAT Phytochemical identifier: IMPHY013953

Phytochemical name: 6-Hydroxycyclohexa-2,4-dien-1-one

Synonymous chemical names:
ketophenol

External chemical identifiers:
CID:440554, SureChEMBL:SCHEMBL2589077

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Chemical structure information

SMILES:
OC1C=CC=CC1=O

InChI:
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-5,7H

InChIKey:
OMDZIQQFRGDFAP-UHFFFAOYSA-N

DeepSMILES:
OCC=CC=CC6=O

Functional groups:
CO, O=C1C=CC=CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC=CC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: 2.044

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Chemical structure download