2-Phenyl-6-(propan-2-yl)-4H-1-benzopyran-4-one
Basic information
- CAS
288401-05-8- Standard SMILES
CC(C)c1ccc2oc(-c3ccccc3)cc(=O)c2c1- InChIKey
APJYDAHXYGPDII-UHFFFAOYSA-N- Molecular formula
- C18H16O2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.11502975
Names & identifiers
- Preferred name
- 2-Phenyl-6-(propan-2-yl)-4H-1-benzopyran-4-one
- IUPAC
- 2-phenyl-6-propan-2-ylchromen-4-one
- English name
- 6-iso-Propylflavone
- Molecular formula
- C18H16O2
- Molecular weight
- 264.32
Names & synonyms
288401-05-82-Phenyl-6-(propan-2-yl)-4H-1-benzopyran-4-one6-isopropyl-2-phenyl-4H-chromen-4-one2-phenyl-6-propan-2-ylchromen-4-oneN29H7D26X42-Phenyl-6-propan-2-yl-chromen-4-one2-phenyl-6-(propan-2-yl)-4H-chromen-4-one6-(1-Methylethyl)-2-phenyl-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 6-(1-methylethyl)-2-phenyl-UNII-N29H7D26X4CHEMBL133949SCHEMBL22166315
Show more names
6-iso-Propylflavone
DTXSID70658395PD182953
Database identifiers
- CAS
288401-05-8- PubChem CID
- 44355253
- DTXSID
DTXSID70658395- ChEMBL
CHEMBL133949- UNII
- N29H7D26X4
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 83 · 83-86 °C
- Boiling point
- 402.8 · 402.8±45.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- FDA UNII
- 29 H7D26X4 · N29H7D26X4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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