Summary

IMPPAT Phytochemical identifier: IMPHY016372

Phytochemical name: 3'-Methoxyacetophenone

Synonymous chemical names:
3-methoxyacetophenone

External chemical identifiers:
CID:11460, ZINC:ZINC000001692471, FDASRS:1K3UR56Z4N, SureChEMBL:SCHEMBL52445, MolPort-000-156-738

---

Chemical structure information

SMILES:
COc1cccc(c1)C(=O)C

InChI:
InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3

InChIKey:
BAYUSCHCCGXLAY-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)C=O)C

Functional groups:
cC(C)=O, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

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: -0.709

---

Chemical structure download