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4-(Butoxymethyl)benzaldehyde

HCID 59255339
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCOCc1ccc(C=O)cc1
InChIKey
JZDFJCFCNHPQQC-UHFFFAOYSA-N
Molecular formula
C12H16O2
Average molar mass
192.25 g/mol

Names & identifiers

Preferred name
4-(Butoxymethyl)benzaldehyde
IUPAC
4-(butoxymethyl)benzaldehyde

Names & synonyms

4-(butoxymethyl)benzaldehyde216384-68-84-[(n-Butyloxy)methyl]benzaldehydeMFCD194429174-Butoxymethyl-benzaldehydeSCHEMBL510761JZDFJCFCNHPQQC-UHFFFAOYSA-NF399754

Database identifiers

PubChem CID
59255339

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
14
Formal charge
0
Complexity
148

Related reactions

12 records
New reaction record
HRID 77810 reaction equation
HRID 77810As productuspto-grants-2014_09
HRID 77811 reaction equation
HRID 77811As reactantuspto-grants-2014_09
HRID 640092 reaction equation
HRID 640092As productuspto-grants-2010_04
HRID 640093 reaction equation
HRID 640093As reactantuspto-grants-2010_04
HRID 1205119 reaction equation
HRID 1205119As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1690916 reaction equation
HRID 1690916As productuspto-grants-2012_04
HRID 1690917 reaction equation
HRID 1690917As reactantuspto-grants-2012_04
HRID 1693764 reaction equation
HRID 1693764As productuspto-grants-2012_04
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Compound notes

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