trans-4-Flavanol
Basic information
- CAS
20107-48-6- Standard SMILES
O[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21- InChIKey
YTMFRMLVZQOBDR-HIFRSBDPSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- trans-4-Flavanol
- IUPAC
- (2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
- English name
- [2R,4S,(-)]-3,4-Dihydro-2-phenyl-2H-1-benzopyran-4-ol
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
20107-48-6trans-4-Flavanol4-Flavanol, trans-(-)-Flavan-4alpha-olFUW7J8YNH5trans-(+/-)-4-Flavanoltrans-2-Phenyl-4-chromanol4-Flavanol, (2S,4R)-HF4W38D25R(2S,4R)-trans-flavan-4-ol4-Flavanol, trans-(+/-)-(2S,4R)-3,4-Dihydro-2-phenyl-2H-1-benzopyran-4-ol
Show more names
trans-Flavan-4-ol(-)-trans-Flavanolcis-4-hydroxyflavan(-)-trans-4-Flavanol2H-1-Benzopyran-4-ol, 3,4-dihydro-2-phenyl-, trans- (9CI)
2H-1-Benzopyran-4-ol, 3,4-dihydro-2-phenyl-, trans-[2R,4S,(-)]-3,4-Dihydro-2-phenyl-2H-1-benzopyran-4-ol2H-1-Benzopyran-4-ol, 3,4-dihydro-2-phenyl-, (2S,4R)-2H-1-Benzopyran-4-ol, 3,4-dihydro-2-phenyl-, (2S-trans)-20902-95-8
Database identifiers
- CAS
20107-48-6、20902-95-8- PubChem CID
- 6923720
- UNII
- FUW7J8YNH5、HF4W38D25R
- Nikkaji
- J247.680K
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
- Melting point
- 117 · 117-118 °C(Solvent: Benzene)
- 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)
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Compound notes
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