Basic information
- CAS
13179-04-9- Standard SMILES
Cc1cc(C(=O)c2ccccc2)c2oc(-c3ccccc3)c(Cl)c(=O)c2c1- InChIKey
AFCVPUNRFGZZJI-UHFFFAOYSA-N- Molecular formula
- C23H15ClO3
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.070972
Names & identifiers
- Preferred name
- Chromone, 8-benzoyl-3-chloro-6-methyl-2-phenyl-
- IUPAC
- 8-benzoyl-3-chloro-6-methyl-2-phenylchromen-4-one
- English name
- 8-Benzoyl-3-chloro-6-methyl-2-phenylchromone
- Molecular formula
- C23H15ClO3
- Molecular weight
- 374.82
Names & synonyms
13179-04-9Chromone, 8-benzoyl-3-chloro-6-methyl-2-phenyl-8-Benzoyl-3-chloro-6-methyl-2-phenylchromoneZNY63P5ZM8NSC 74909BRN 1397870NSC-74909DTXSID801572085-17-11-00644 (Beilstein Handbook Reference)8-BENZOYL-3-CHLORO-6-METHYL-2-PHENYL-4H-1-BENZOPYRAN-4-ONE4H-1-BENZOPYRAN-4-ONE, 8-BENZOYL-3-CHLORO-6-METHYL-2-PHENYL-RefChem:200163
Show more names
DTXCID4079699Flavone, 8-benzoyl-3-chloro-6-methyl-8-Benzoyl-3-chloro-6-methyl-2-phenyl-4H-chromen-4-oneNSC749098-benzoyl-3-chloro-6-methyl-2-phenylchromen-4-oneUNII-ZNY63P5ZM8WLN: T66 BO EVJ CR& DG H1 JVRDS-005367
Database identifiers
- CAS
13179-04-9- PubChem CID
- 96451
- DTXSID
DTXSID80157208- UNII
- ZNY63P5ZM8
- Nikkaji
- J50.243J
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 613
Physicochemical properties
- Melting point
- 188.4 · 188.4-189.4 °C
- Boiling point
- 584 · 584.0±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- FDA UNII
- 63 P5ZM8 · ZNY63P5ZM8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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