3-Methylbenzofuran
Properties
- Molecular formula
- C9H8O
- Molar mass
- 132.16 g/mol
- Exact mass
- 132.0575 Da
- Density
- 1.0568 g/mL (at 25 °C)
- Boiling point
- 197 °C
- logP
- 2.74Crippen estimate
- Polar surface area
- 13.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed95.2% of notifiers
- H318 Causes serious eye damage92.9% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501
Identifiers
CAS number
21535-97-7SMILES
Cc1coc2ccccc12InChIKey
ZRXHLJNBNWVNIM-UHFFFAOYSA-NInChI
InChI=1S/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Benzofuran, 3-methyl-
- 3-Methylbenzo[b]furan
- 3-Methyl-1-benzofuran
Reactions
Work with 3-Methylbenzofuran
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
3-Bromo-1-benzofuran59214-70-950 % similar
4-Methylcoumarin607-71-647 % similar
1,4-Dimethylnaphthalene571-58-446 % similar
Benzofuran-3-boronic acid317830-83-445 % similar
3-Bromochromone49619-82-142 % similar
1-Benzofuran-3-ylacetonitrile52407-43-942 % similar
1-Benzofuran-3-yl acetate93680-80-942 % similar
Isoflavone574-12-941 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds