(2S,4S)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ol
Basic information
- CAS
51196-83-9- Standard SMILES
O[C@H]1C[C@@H](c2ccccc2)Oc2ccccc21- InChIKey
YTMFRMLVZQOBDR-ZFWWWQNUSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- (2S,4S)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ol
- IUPAC
- (2S,4S)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
- English name
- [2S,4S,(+)]-3,4-Dihydro-2-phenyl-2H-1-benzopyran-4-ol
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
51196-83-94GQ8SD8PN7(2S,4S)-cis-Flavan-4-ol(2S,4S)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-olFlavan-4-ol, (2S,4S)-(2S,4S)-3,4-Dihydro-2-phenyl-2H-1-benzopyran-4-ol2H-1-Benzopyran-4-ol, 3,4-dihydro-2-phenyl-, (2S,4S)-2H-1-Benzopyran-4-ol, 3,4-dihydro-2-phenyl-, (2S-cis)-(+)-cis-Flavanol(+)-cis-4-Flavanol[2S,4S,(+)]-3,4-Dihydro-2-phenyl-2H-1-benzopyran-4-ol
Database identifiers
- CAS
51196-83-9- PubChem CID
- 6923722
- UNII
- 4GQ8SD8PN7
- Nikkaji
- J247.678I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 383.202 · 383.202±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.965 · 13.965±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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