Summary

IMPPAT Phytochemical identifier: IMPHY015369

Phytochemical name: 4-Bromoadamantan-2-ol

Synonymous chemical names:
4-bromo-2-adamantanol

External chemical identifiers:
CID:583676

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Chemical structure information

SMILES:
OC1C2CC3CC1C(C(C2)C3)Br

InChI:
InChI=1S/C10H15BrO/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10,12H,1-4H2

InChIKey:
UZFHAWHYOKNKPK-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6CCC8)C6))Br

Functional groups:
CBr, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph/Node level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph level:
C1C2CC3CC1CC(C2)C3

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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: 1.12

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Chemical structure download