Summary

IMPPAT Phytochemical identifier: IMPHY012080

Phytochemical name: Diphenyl ether

Synonymous chemical names:
diphenyl ether

External chemical identifiers:
CID:7583, ChEMBL:CHEMBL38934, ChEBI:39258, ZINC:ZINC000001504642, FDASRS:3O695R5M1U, SureChEMBL:SCHEMBL12286, MolPort-000-871-961

---

Chemical structure information

SMILES:
c1ccc(cc1)Oc1ccccc1

InChI:
InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H

InChIKey:
USIUVYZYUHIAEV-UHFFFAOYSA-N

DeepSMILES:
cccccc6))Occcccc6

Functional groups:
cOc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Oc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Diphenylethers

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.395

---

Chemical structure download