4'-Methylchalcone oxide
Basic information
- CAS
32046-97-2- Standard SMILES
Cc1ccc(C(=O)C2OC2c2ccccc2)cc1- InChIKey
XMLFNFVRQZKLTI-UHFFFAOYSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Names & identifiers
- Preferred name
- 4'-Methylchalcone oxide
- IUPAC
- (4-methylphenyl)-(3-phenyloxiran-2-yl)methanone
Names & synonyms
32046-97-2NSC1672734'-methylchalcone oxideSCHEMBL28350944DTXSID90953915NSC167209NSC-167209NSC-167273(4-methylphenyl)(3-phenyloxiran-2-yl)methanone32157-66-7
Database identifiers
- CAS
32046-97-2、32157-66-7- PubChem CID
- 296741
- DTXSID
DTXSID90953915- Nikkaji
- J565.598F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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