Summary

IMPPAT Phytochemical identifier: IMPHY017689

Phytochemical name: 2'-Hydroxy-5'-methoxyacetophenone

Synonymous chemical names:
2-hydroxy-5-methoxy acetophenon, 2-hydroxy-5-methoxy acetophenone

External chemical identifiers:
CID:69714, ZINC:ZINC000000160317, SureChEMBL:SCHEMBL312754, MolPort-000-144-466

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Chemical structure information

SMILES:
COc1ccc(c(c1)C(=O)C)O

InChI:
InChI=1S/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3

InChIKey:
MLIBGOFSXXWRIY-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)C=O)C)))O

Functional groups:
cC(C)=O, cO, cOC

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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: Carbonyl compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.201

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Chemical structure download