3,4-Bis(4-methoxyphenyl)but-3-en-2-one
Basic information
- CAS
56622-38-9- Standard SMILES
COc1ccc(C=C(C(C)=O)c2ccc(OC)cc2)cc1- InChIKey
UFBJXEMRUMHJDW-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559443
Names & identifiers
- Preferred name
- 3,4-Bis(4-methoxyphenyl)but-3-en-2-one
- IUPAC
- 3,4-bis(4-methoxyphenyl)but-3-en-2-one
Names & synonyms
56622-38-9DTXSID909720653,4-Bis(4-methoxyphenyl)but-3-en-2-one
Database identifiers
- CAS
56622-38-9- PubChem CID
- 41955
- DTXSID
DTXSID90972065
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
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Compound notes
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