Basic information
- CAS
27729-95-9- Standard SMILES
COc1ccc([C@@H]2O[C@H]2C(=O)c2ccccc2)cc1- InChIKey
OJNVQVXKXBOSSW-HOTGVXAUSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone
- IUPAC
- [(2R,3S)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
Names & synonyms
27729-95-9RefChem:1097970rel-((2R,3S)-3-(4-Methoxyphenyl)-2-oxiranyl)phenylmethanone4-Methoxychalcone oxidetrans-4-Methoxychalcone oxideCCRIS 2232BRN 3614638trans-2,3-Epoxy-3-(p-methoxyphenyl)propiophenonePropiophenone, 2,3-epoxy-3-(p-methoxyphenyl)-, trans-DTXSID50950425Methanone, (3-(4-methoxyphenyl)oxiranyl)phenyl-, trans-5-18-02-00183 (Beilstein Handbook Reference)
Show more names
[(2R,3S)-3-(4-Methoxyphenyl)oxiran-2-yl](phenyl)methanone
Database identifiers
- CAS
27729-95-9- PubChem CID
- 147178
- DTXSID
DTXSID50950425- Nikkaji
- J936.711J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
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Compound notes
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