[5-Hydroxy-4-methoxy-2-(5-methyl-[1,2,4]oxadiazol-3-yl) phenyl]phenylmethanone

HCID 136202003

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(-c2noc(C)n2)c(C(=O)c2ccccc2)cc1O
InChIKey: IJVGHDWYJPKDIU-UHFFFAOYSA-N
Molecular formula: C17H14N2O4
Average molar mass: 310.3 g/mol

Names & identifiers

Preferred name: [5-Hydroxy-4-methoxy-2-(5-methyl-[1,2,4]oxadiazol-3-yl) phenyl]phenylmethanone
IUPAC: [5-hydroxy-4-methoxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-phenylmethanone

Names & synonyms

SCHEMBL1618134IJVGHDWYJPKDIU-UHFFFAOYSA-N[5-Hydroxy-4-methoxy-2-(5-methyl-[1,2,4]oxadiazol-3-yl) phenyl]phenylmethanone[5-Hydroxy-4-methoxy-2-(5-methyl-[1,2,4]oxadiazol-3-yl)phenyl]phenylmethanone

Database identifiers

PubChem CID: 136202003

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 85.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 413

Related reactions

4 records

New reaction record

HRID 663254As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1546910As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2075968As productuspto-grants-2011_04

HRID 2075969As reactantuspto-grants-2011_04

Compound notes

Loading…