Summary

IMPPAT Phytochemical identifier: IMPHY016949

Phytochemical name: Butyrophenone

Synonymous chemical names:
1-phenyl-1-butanone

External chemical identifiers:
CID:10315, ChEMBL:CHEMBL193524, ZINC:ZINC000001586755, FDASRS:186I11WB5B, SureChEMBL:SCHEMBL82532, MolPort-001-783-853

---

Chemical structure information

SMILES:
CCCC(=O)c1ccccc1

InChI:
InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

InChIKey:
FFSAXUULYPJSKH-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)cccccc6

Functional groups:
cC(C)=O

---

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: -0.261

---

Chemical structure download