(2E)-3-(4-Methoxyphenyl)-1-(4-nitrophenyl)-2-propen-1-one
Basic information
- CAS
20432-03-5- Standard SMILES
COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
OEFOVQFJRDIUTL-NYYWCZLTSA-N- Molecular formula
- C16H13NO4
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.0844579
Names & identifiers
- Preferred name
- (2E)-3-(4-Methoxyphenyl)-1-(4-nitrophenyl)-2-propen-1-one
- IUPAC
- (E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
- English name
- 3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
- Molecular formula
- C16H13NO4
- Molecular weight
- 283.28
Names & synonyms
20432-03-5(2E)-3-(4-Methoxyphenyl)-1-(4-nitrophenyl)-2-propen-1-oneDTXSID901195126RefChem:1049782DTXCID4016263606552-62-1(E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one(E)-3-(4-Methoxy-phenyl)-1-(4-nitro-phenyl)-propenone3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one(2E)-3-(4-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-oneMFCD00024746CHEMBL2298382
Show more names
4-METHOXY-4'-NITROCHALCONE4-METHOXY-4'-NITROCHALCONE2-Propen-1-one, 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-
MLS002693941NSC75522SCHEMBL14435873OEFOVQFJRDIUTL-NYYWCZLTSA-Ntrans-4-Methoxy-4'-nitrochalconeBDBM50465076CCG-10182NSC-75522
Database identifiers
- CAS
20432-03-5、6552-62-1- PubChem CID
- 5340296
- DTXSID
DTXSID901195126- ChEMBL
CHEMBL2298382- Nikkaji
- J1.247.777E、J236.574J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Melting point
- 175 · 175-176 °C
- Boiling point
- 486.9 · 486.9±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…