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2-Butyl-1-benzofuran-3-carbaldehyde

HCID 4961966
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCc1oc2ccccc2c1C=O
InChIKey
WAQDWMWCWBOZLQ-UHFFFAOYSA-N
Molecular formula
C13H14O2
Average molar mass
202.25 g/mol
Monoisotopic mass
202.09937969

Names & identifiers

Preferred name
2-Butyl-1-benzofuran-3-carbaldehyde
IUPAC
2-butyl-1-benzofuran-3-carbaldehyde

Names & synonyms

2-butyl-1-benzofuran-3-carbaldehyde251479-20-62-Butylbenzofuran-3-carbaldehyde3-Benzofurancarboxaldehyde, 2-butyl-MFCD06655346SCHEMBL18569632-butyl-benzofuran-3-carbaldehydeWAQDWMWCWBOZLQ-UHFFFAOYSA-NBKA479202-n-butylbenzofuran-3-carboxaldehydeAKOS008987528CS-0231842
Show more names
EN300-12560G56226Z85957133

Database identifiers

PubChem CID
4961966

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
215

Related reactions

8 records
New reaction record
HRID 100627 reaction equation
HRID 100627As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 310098 reaction equation
HRID 310098As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 735882 reaction equation
HRID 735882As productuspto-grants-2009_09
HRID 735883 reaction equation
HRID 735883As reactantuspto-grants-2009_09
HRID 1067350 reaction equation
HRID 1067350As reactantuspto-grants-2001_06
HRID 1280911 reaction equation
HRID 1280911As reactantuspto-grants-2002_09
HRID 1871323 reaction equation
HRID 1871323As reactantuspto-grants-2000_08
HRID 2137788 reaction equation
HRID 2137788As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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