2-(4-Phenylphenyl)-3,1-benzoxazin-4-one
Basic information
- CAS
182361-62-2- Standard SMILES
O=c1oc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12- InChIKey
OALNQNXMFRJAEA-UHFFFAOYSA-N- Molecular formula
- C20H13NO2
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.09462866
Names & identifiers
- Preferred name
- 2-(4-Phenylphenyl)-3,1-benzoxazin-4-one
- IUPAC
- 2-(4-phenylphenyl)-3,1-benzoxazin-4-one
- English name
- 2-(biphenyl-4-yl)-4H-3,1-benzoxazin-4-one
- Molecular formula
- C20H13NO2
- Molecular weight
- 299.32
Names & synonyms
ZINC395177SR-010004218842-(4-phenylphenyl)-3,1-benzoxazin-4-oneOprea1_167903Oprea1_820970SCHEMBL273036IFLab1_004281HMS1424C13MFCD00980075STK048283ZINC00395177AKOS000508432
Show more names
2-(biphenyl-4-yl)-4H-3,1-benzoxazin-4-one4H-3,1-Benzoxazin-4-one, 2-[1,1'-biphenyl]-4-yl-2-([1,1'-biphenyl]-4-yl)-4H-benzo[d][1,3]oxazin-4-one
CCG-105546IDI1_010036O=c1oc(nc2c1cccc2)c1ccc(cc1)c1ccccc1182361-62-22(4PHENYLPHENYL)31BENZOXAZIN4ONE2(BIPHENYL4YL)4H31BENZOXAZIN4ONE2-(4-biphenylyl)-4h-3,1-benzoxazinoneZINC000000395177
Database identifiers
- CAS
182361-62-2- PubChem CID
- 853653
- EC Number
- 105-553-2
- Nikkaji
- J3.344.682I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 454 · 454.0±15.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 2.66 · 2.66±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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