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4-(5-Methyl-furan-2-ylmethyl)-benzaldehyde

HCID 59255265
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(Cc2ccc(C=O)cc2)o1
InChIKey
UXUWQDXHZJMOGF-UHFFFAOYSA-N
Molecular formula
C13H12O2
Average molar mass
200.23 g/mol

Names & identifiers

Preferred name
4-(5-Methyl-furan-2-ylmethyl)-benzaldehyde
IUPAC
4-[(5-methylfuran-2-yl)methyl]benzaldehyde

Names & synonyms

4-(5-Methyl-furan-2-ylmethyl)-benzaldehydeSCHEMBL510682UXUWQDXHZJMOGF-UHFFFAOYSA-N936342-83-5DB-123030

Database identifiers

PubChem CID
59255265

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
207

Related reactions

12 records
New reaction record
HRID 77909 reaction equation
HRID 77909As productuspto-grants-2014_09
HRID 77910 reaction equation
HRID 77910As reactantuspto-grants-2014_09
HRID 640192 reaction equation
HRID 640192As productuspto-grants-2010_04
HRID 640193 reaction equation
HRID 640193As reactantuspto-grants-2010_04
HRID 1538625 reaction equation
HRID 1538625As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1691016 reaction equation
HRID 1691016As productuspto-grants-2012_04
HRID 1691017 reaction equation
HRID 1691017As reactantuspto-grants-2012_04
HRID 1693864 reaction equation
HRID 1693864As productuspto-grants-2012_04
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Compound notes

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