Summary

IMPPAT Phytochemical identifier: IMPHY016629

Phytochemical name: Dodecanophenone

Synonymous chemical names:
dodecanophenone

External chemical identifiers:
CID:74292, ZINC:ZINC000001680442, FDASRS:OX0ME0LZ5A, SureChEMBL:SCHEMBL2124997, MolPort-002-896-378

---

Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)c1ccccc1

InChI:
InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3

InChIKey:
DJNJZIFFCJTUDS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=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-Likeness score: -0.036

---

Chemical structure download