2-(4,5-Dimethoxy-2-nitrophenyl)-1-(4-methoxyphenyl)ethanone
Basic information
- CAS
51743-07-8- Standard SMILES
COc1ccc(C(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1- InChIKey
IIOYZWSVWCGXCZ-UHFFFAOYSA-N- Molecular formula
- C17H17NO6
- Average molar mass
- 331.32 g/mol
- Monoisotopic mass
- 331.10558726
Names & identifiers
- Preferred name
- 2-(4,5-Dimethoxy-2-nitrophenyl)-1-(4-methoxyphenyl)ethanone
- IUPAC
- 2-(4,5-dimethoxy-2-nitrophenyl)-1-(4-methoxyphenyl)ethanone
Names & synonyms
51743-07-82-(4,5-dimethoxy-2-nitrophenyl)-1-(4-methoxyphenyl)ethanoneEthanone, 2-(4,5-dimethoxy-2-nitrophenyl)-1-(4-methoxyphenyl)-HMS2485L21Oprea1_588041MLS000579148CHEMBL1413123DTXSID90357772AKOS004117295SMR000186736SR-01000216335SR-01000216335-1
Show more names
2-(4,5-Dimethoxy-2-nitrophenyl)-1-(4-methoxyphenyl)ethan-1-one
Database identifiers
- CAS
51743-07-8- PubChem CID
- 867673
- DTXSID
DTXSID90357772- ChEMBL
CHEMBL1413123
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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