Summary

IMPPAT Phytochemical identifier: IMPHY013818

Phytochemical name: 4-Methoxybenzophenone

Synonymous chemical names:
p-methoxybenzophenone

External chemical identifiers:
CID:69146, ChEMBL:CHEMBL198085, ZINC:ZINC000000244531, FDASRS:I4XJ07373M, SureChEMBL:SCHEMBL50261, MolPort-001-769-162

---

Chemical structure information

SMILES:
COc1ccc(cc1)C(=O)c1ccccc1

InChI:
InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3

InChIKey:
SWFHGTMLYIBPPA-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))C=O)cccccc6

Functional groups:
cC(c)=O, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(c1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(C1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(C1CCCCC1)C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzophenones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: -0.414

---

Chemical structure download