Summary

IMPPAT Phytochemical identifier: IMPHY005157

Phytochemical name: 4-Hydroxy-3-methoxyphenylacetone

Synonymous chemical names:
1-(4-hydroxy-3-methoxyphenyl)-2-propanone

External chemical identifiers:
CID:17262, ZINC:ZINC000000158237, FDASRS:0626DKI6FE, SureChEMBL:SCHEMBL1682653, MolPort-001-762-537

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Chemical structure information

SMILES:
COc1cc(ccc1O)CC(=O)C

InChI:
InChI=1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3

InChIKey:
LFVCJQWZGDLHSD-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))))CC=O)C

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: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP-Likeness score: 0.752

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Chemical structure download