4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-6-(1-piperidinylmethyl)-, (S)-
Basic information
- CAS
183051-61-8- Standard SMILES
O=C1C[C@@H](c2ccccc2)Oc2cc(O)c(CN3CCCCC3)c(O)c21- InChIKey
CPBYRJHTUVUMDJ-SFHVURJKSA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16270821
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-6-(1-piperidinylmethyl)-, (S)-
- IUPAC
- (2S)-5,7-dihydroxy-2-phenyl-6-(piperidin-1-ylmethyl)-2,3-dihydrochromen-4-one
Names & synonyms
6-Piperidinomethyl pinocembrin6-Piperidinomethylpinocembrin4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-6-(1-piperidinylmethyl)-, (S)-(S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-6-(1-piperidinylmethyl)-4H-1-benzopyran-4-oneDTXSID00171380RefChem:297216DTXCID2093871183051-61-8(2S)-5,7-Dihydroxy-2-phenyl-6-[(piperidin-1-yl)methyl]-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
183051-61-8- PubChem CID
- 3075482
- DTXSID
DTXSID00171380
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
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Related reactions
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Compound notes
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