Basic information
- CAS
88681-20-3- Standard SMILES
COc1ccc(C=CC(=O)c2ccc(Nc3ccccc3)cc2)cc1- InChIKey
PUVXRDDCSNFDEH-UHFFFAOYSA-N- Molecular formula
- C22H19NO2
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.14157885
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(4-methoxyphenyl)-1-[4-(phenylamino)phenyl]-
- IUPAC
- 1-(4-anilinophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Names & synonyms
88681-20-32-Propen-1-one, 3-(4-methoxyphenyl)-1-[4-(phenylamino)phenyl]-1-(4-anilinophenyl)-3-(4-methoxyphenyl)prop-2-en-1-oneDTXSID20398658
Database identifiers
- CAS
88681-20-3- PubChem CID
- 4032986
- DTXSID
DTXSID20398658
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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