2,3-dihydro-3-phenyl-4H-1-benzopyran-4-one
Basic information
- CAS
4737-27-3- Standard SMILES
O=C1c2ccccc2OCC1c1ccccc1- InChIKey
RTRZOHKLISMNRD-UHFFFAOYSA-N- Molecular formula
- C15H12O2
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.08372962
Overview
Isoflavanone is isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond.
Names & identifiers
- Preferred name
- 2,3-dihydro-3-phenyl-4H-1-benzopyran-4-one
- IUPAC
- 3-phenyl-2,3-dihydrochromen-4-one
- English name
- isoflavanone
- Molecular formula
- C15H12O2
- Molecular weight
- 224.25
Names & synonyms
Isoflavanone4737-27-32,3-dihydro-3-phenyl-4H-1-benzopyran-4-one3-phenyl-2,3-dihydro-4H-chromen-4-oneCHEBI:27945RefChem:1493333-phenylchroman-4-one3-phenyl-2,3-dihydrochromen-4-oneCHEMBL2011171DTXSID90963817RTRZOHKLISMNRD-UHFFFAOYSA-Nstarbld0019166
Show more names
3-phenyl-chroman-4-oneMaybridge3_0005143-phenyl-1,4-benzopyrone3-Phenyl-2,3-dihydro-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-3-phenyl-Oprea1_761530SCHEMBL72983SCHEMBL30593548
Database identifiers
- CAS
4737-27-3- PubChem CID
- 160767
- DTXSID
DTXSID90963817- ChEMBL
CHEMBL2011171- ChEBI
CHEBI:27945- Nikkaji
- J46.302G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 127 °C · 127 °C
- Boiling point
- 386.6 · 386.6±42.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond.
Related reactions
2 records
Compound notes
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