3-Flavanol, trans-

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Basic information

CAS: 13328-95-5
Standard SMILES: O[C@H]1Cc2ccccc2O[C@@H]1c1ccccc1
InChIKey: OEIJRRGCTVHYTH-DZGCQCFKSA-N
Molecular formula: C15H14O2
Average molar mass: 226.27 g/mol
Monoisotopic mass: 226.09937969

Names & identifiers

Preferred name: 3-Flavanol, trans-
IUPAC: (2R,3S)-2-phenyl-3,4-dihydro-2H-chromen-3-ol

Names & synonyms

3-Flavanol, trans-trans-Flavan-3-olUCS8FM0GPC2,3-trans-Flavan-3-ol3-Flavanol, trans-(-)-YM11H4D4UI(+/-)-trans-3-Hydroxyflavan3-Flavanol, trans-(+/-)-(-)-(2R,3S)-trans-3-Hydroxyflavan13328-95-52H-1-Benzopyran-3-ol, 3,4-dihydro-2-phenyl-, (2R,3S)-2H-1-Benzopyran-3-ol, 3,4-dihydro-2-phenyl-, (2R-trans)-

Show more names

2H-1-Benzopyran-3-ol, 3,4-dihydro-2-phenyl-, (2R,3S)-rel-55568-96-2UNII-UCS8FM0GPCUNII-YM11H4D4UIOprea1_623880SCHEMBL1659934SCHEMBL30775723OEIJRRGCTVHYTH-DZGCQCFKSA-N

Database identifiers

CAS: 13328-95-5、55568-96-2
PubChem CID: 847733
UNII: UCS8FM0GPC、YM11H4D4UI
Nikkaji: J1.909.874E

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 247

Related reactions

1 records

New reaction record

HRID 626292As productuspto-grants-2016_04

Compound notes

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