1,3-Bis(4-methoxyphenyl)-1-propanone
Basic information
- CAS
20615-47-8- Standard SMILES
COc1ccc(CCC(=O)c2ccc(OC)cc2)cc1- InChIKey
RBUUTPKKWGVWCJ-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 1,3-Bis(4-methoxyphenyl)-1-propanone
- IUPAC
- 1,3-bis(4-methoxyphenyl)propan-1-one
- English name
- 4'-Methoxy-3-(4-methoxyphenyl)propiophenone
- Molecular formula
- C17H18O3
- Molecular weight
- 270.32
Names & synonyms
20615-47-81,3-bis(4-methoxyphenyl)-1-propanoneRefChem:10527261,3-bis(4-methoxyphenyl)propan-1-one4'-METHOXY-3-(4-METHOXYPHENYL)PROPIOPHENONE4',4-DimethoxydihydrochalconeMFCD00757267NSC83182NCIOpen2_005125MLS001180556SCHEMBL7868896CHEMBL1735986
Show more names
1-Propanone, 1,3-bis(4-methoxyphenyl)-
DTXSID00292488HMS2782F14NSC 83182NSC-83182AKOS0093478531,3-bis(4-methoxyphenyl)-propan-1-oneSMR000476559XD161921
Database identifiers
- CAS
20615-47-8- PubChem CID
- 256368
- DTXSID
DTXSID00292488- ChEMBL
CHEMBL1735986- Nikkaji
- J743.183J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 42 · 42-43 °C
- Boiling point
- 236 °C · 236 °C(Press: 5 Torr)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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