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2-(3-(3-(Cyclobutylmethoxy)phenyl)propyl)isoindoline-1,3-dione

HCID 67316929
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1c2ccccc2C(=O)N1CCCc1cccc(OCC2CCC2)c1
InChIKey
FCPQUGNTQAOVJQ-UHFFFAOYSA-N
Molecular formula
C22H23NO3
Average molar mass
349.4 g/mol

Names & identifiers

Preferred name
2-(3-(3-(Cyclobutylmethoxy)phenyl)propyl)isoindoline-1,3-dione
IUPAC
2-[3-[3-(cyclobutylmethoxy)phenyl]propyl]isoindole-1,3-dione

Names & synonyms

SCHEMBL2207212FCPQUGNTQAOVJQ-UHFFFAOYSA-N2-(3-(3-(cyclobutylmethoxy)phenyl)propyl)isoindoline-1,3-dione

Database identifiers

PubChem CID
67316929

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
26
Formal charge
0
Complexity
492

Related reactions

6 records
New reaction record
HRID 74356 reaction equation
HRID 74356As productuspto-grants-2014_09
HRID 189536 reaction equation
HRID 189536As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 875529 reaction equation
HRID 875529As productuspto-grants-2015_03
HRID 882423 reaction equation
HRID 882423As productuspto-grants-2015_03
HRID 1014601 reaction equation
HRID 1014601As productuspto-grants-2011_07
HRID 1523149 reaction equation
HRID 1523149As productuspto-grants-2015_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes