Summary

IMPPAT Phytochemical identifier: IMPHY016218

Phytochemical name: Cyclohexanone, 2-[(4-methoxyphenyl)methylene]-

Synonymous chemical names:
2-[(4-methoxyphenyl)methylene]-cyclohexanone

External chemical identifiers:
CID:364010

---

Chemical structure information

SMILES:
COc1ccc(cc1)C=C1CCCCC1=O

InChI:
InChI=1S/C14H16O2/c1-16-13-8-6-11(7-9-13)10-12-4-2-3-5-14(12)15/h6-10H,2-5H2,1H3

InChIKey:
JURVLOCWPWGFIG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))C=CCCCCC6=O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCC1=Cc1ccccc1

Scaffold Graph/Node level:
OC1CCCCC1CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1CC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

ClassyFire Subclass: Anisoles

NP-Likeness score: -0.192

---

Chemical structure download