Basic information
- CAS
17002-31-2- Standard SMILES
O=C1C[C@@H](c2ccccc2)Oc2ccccc21- InChIKey
ZONYXWQDUYMKFB-HNNXBMFYSA-N- Molecular formula
- C15H12O2
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.08372962
Overview
(2S)-flavanone is the (S)-enantiomer of flavanone. It is an enantiomer of a (2R)-flavanone.
Names & identifiers
- Preferred name
- Flavanone, (-)-
- IUPAC
- (2S)-2-phenyl-2,3-dihydrochromen-4-one
- English name
- (2S)-2-Phenyl-2,3-dihydro-4H-1-benzopyran-4-one
- Molecular formula
- C15H12O2
- Molecular weight
- 224.25
Names & synonyms
(2S)-Flavanone17002-31-2(-)-FlavanoneFlavanone, (-)-Flavanone, (S)-(-)-(S)-2-Phenyl-4-chromanoneN50DYZ2H5Q(2S)-2-phenyl-2,3-dihydrochromen-4-one94166II4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-, (2S)-(S)-2-Phenyl-3,4-dihydro-2H-benzopyran-4-oneCHEBI:15606
Show more names
(S)-Flavanone(S)-2,3-Dihydro-2α-phenyl-4H-1-benzopyran-4-one[S,(-)]-2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one
(2S)-2-phenyl-2,3-dihydro-4H-chromen-4-oneRefChem:68977(S)-2-Phenylchroman-4-oneUNII-N50DYZ2H5Q(2S)-2-Phenyl-2,3-dihydro-4H-1-benzopyran-4-one(2S)-2-phenylchroman-4-one(2S)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one(2S)-Flavan-4-one
Database identifiers
- CAS
17002-31-2- PubChem CID
- 439652
- ChEMBL
CHEMBL4781878- ChEBI
CHEBI:15606- UNII
- N50DYZ2H5Q
- Nikkaji
- J86.474I
Properties
Computed structural properties
- XLogP
- 3.2
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 75 · 75-76 °C(Solv: methanol (67-56-1))
- Boiling point
- 386.2 · 386.2±42.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- FDA UNII
- 50 DYZ2H5Q · N50DYZ2H5Q
Chemistry & industry
Additional notes
DefinitionChEBI: (2S)-flavanone is the (S)-enantiomer of flavanone. It is an enantiomer of a (2R)-flavanone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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