5-Methylfurfural
Properties
- Molecular formula
- C6H6O2
- Molar mass
- 110.11 g/mol
- Exact mass
- 110.0368 Da
- Density
- 1.1012 g/mL (at 20 °C)
- Melting point
- 171 °C
- Boiling point
- 187 °C
- logP
- 1.40Crippen estimate
- Polar surface area
- 30.2 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
620-02-0SMILES
Cc1ccc(C=O)o1InChIKey
OUDFNZMQXZILJD-UHFFFAOYSA-NInChI
InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- 2-Furancarboxaldehyde, 5-methyl-
- 2-Furaldehyde, 5-methyl-
- 5-Methyl-2-furancarboxaldehyde
- 5-Methylfurfuraldehyde
- 5-Methyl-2-furfural
- 2-Methyl-5-formylfuran
- 5-Methyl-2-furaldehyde
- 2-Formyl-5-methylfuran
- 5-Methylfuran-2-carbaldehyde
- 5-Methyl-2-furfuraldehyde
- 5-Methylfuran-2-al
- 5-Methylfuran-2-aldehyde
- 5-Methyl-2-furfurylaldehyde
- 2-Methyl-5-furaldehyde
- 2-Formyl-5-methyltetrahydrofuran
Reactions
Work with 5-Methylfurfural
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,5-Furandicarboxaldehyde823-82-564 % similar
5-Ethyl-2-furaldehyde23074-10-450 % similar
2,5-Dimethylfuran625-86-550 % similar
Hydroxymethylfurfural67-47-045 % similar
5-Nitrofurfural698-63-542 % similar
Sodium 5-formyl-2-furansulfonate31795-44-540 % similar
5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-640 % similar
5-(Acetoxymethyl)-2-furaldehyde10551-58-339 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds