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Compound
[4-[2-[2-(2-Methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]methanol
HCID
22274596
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Basic information
Standard SMILES
CC1CCCN1CCc1cc2cc(-c3ccc(CO)cc3)ccc2o1
InChIKey
ZXYGRUFRRCHPAK-UHFFFAOYSA-N
Molecular formula
C22H25NO2
Average molar mass
335.4 g/mol
Names & identifiers
Preferred name
[4-[2-[2-(2-Methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]methanol
IUPAC
[4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]methanol
Database identifiers
PubChem CID
22274596
Properties
Computed structural properties
XLogP
4.3
Topological polar surface area
36.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
420
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Related reactions
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As solvent
HRID
89425
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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