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[4-[2-[2-(2-Methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]methanol

HCID 22274596
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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

Related reactions

1 records
New reaction record
HRID 89425 reaction equation
HRID 89425As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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