1-(2-Methoxyphenyl)-3-phenyl-1,3-propanedione
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Basic information
- CAS
41126-22-1- Standard SMILES
COc1ccccc1C(=O)CC(=O)c1ccccc1- InChIKey
SBPRDYIPEHBDCW-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- 1-(2-Methoxyphenyl)-3-phenyl-1,3-propanedione
- IUPAC
- 1-(2-methoxyphenyl)-3-phenylpropane-1,3-dione
- English name
- 1-(2-methoxyphenyl)-3-phenyl-propane-1,3-dione
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
41126-22-11-(2-methoxyphenyl)-3-phenyl-1,3-propanedioneRefChem:10539991-(2-methoxyphenyl)-3-phenylpropane-1,3-dioneMLS001179098NSC 479551-(2-METHOXYPHENYL)-3-PHENYL-PROPANE-1,3-DIONESMR000477626NSC479551,3-Propanedione,1-(2-methoxyphenyl)-3-phenyl-CHEMBL177754cid_240967
Show more names
1,3-Propanedione, 1-(2-methoxyphenyl)-3-phenyl-
SCHEMBL1898771SCHEMBL29356203BDBM73828DTXSID00286842HMS2839H04NSC-47955
Database identifiers
- CAS
41126-22-1- PubChem CID
- 240967
- DTXSID
DTXSID00286842- ChEMBL
CHEMBL177754- Nikkaji
- J2.819.736E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 424.7 · 424.7±25.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- 9.34 · 9.34±0.33(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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