3-Methylanisole
Properties
- Molecular formula
- C8H10O
- Molar mass
- 122.17 g/mol
- Exact mass
- 122.0732 Da
- Density
- 0.97 g/mL
- Melting point
- −47 °C
- Boiling point
- 175.5 °C
- logP
- 2.00Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed87.8% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501
Identifiers
CAS number
100-84-5SMILES
COc1cccc(C)c1InChIKey
OSIGJGFTADMDOB-UHFFFAOYSA-NInChI
InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Benzene, 1-methoxy-3-methyl-
- Anisole, m-methyl-
- 1-Methoxy-3-methylbenzene
- m-Methylanisole
- Methyl m-tolyl ether
- m-Cresol methyl ether
- 3-Methoxytoluene
- m-Methoxytoluene
- m-Cresyl methyl ether
- 3-Methyl-1-methoxybenzene
- 3-Cresol methyl ether
- NSC 6255
- 3-Methoxy-1-methylbenzene
Work with 3-Methylanisole
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
1,3-Dimethoxybenzene151-10-068 % similar
3-Phenoxytoluene3586-14-962 % similar
3,3'-Dimethoxybiphenyl6161-50-860 % similar
3-Methoxybiphenyl2113-56-659 % similar
1,2-Bis(3′-methylphenoxy)ethane54914-85-159 % similar
3,5-Dimethoxytoluene4179-19-558 % similar
1-Methoxy-3,5-dimethylbenzene874-63-558 % similar
Anisole100-66-357 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds