Basic information
- CAS
53773-76-5- Standard SMILES
CCC(=O)c1ccc(OC)cc1C- InChIKey
UOYQXLFNCLUVBD-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 1-(4-Methoxy-2-methylphenyl)propan-1-one
- IUPAC
- 1-(4-methoxy-2-methylphenyl)propan-1-one
- English name
- 4'-Methoxy-2'-Methylpropiophenone
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
53773-76-54'-Methoxy-2'-methylpropiophenone1-(4-METHOXY-2-METHYLPHENYL)PROPAN-1-ONEMFCD116176521-Propanone, 1-(4-methoxy-2-methylphenyl)-1-(4-Methoxy-2-methylphenyl)-1-propanoneSCHEMBL2089774DTXSID50521917UOYQXLFNCLUVBD-UHFFFAOYSA-NAKOS009148682BS-418821-(4-methoxy-2-methyl-phenyl)propan-1-one
Show more names
4-Methoxy-2-Methylpropiophenone(WX626032)
CS-00386351-(4-methoxy-2-methyl-phenyl)-propan-1-oneF398386
Database identifiers
- CAS
53773-76-5- PubChem CID
- 13147111
- DTXSID
DTXSID50521917- Nikkaji
- J2.950.284F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 43 °C · 43°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of propionyl chloride with 3-methylanisole in the presence of aluminium chloride in methylene chloride for 3 h at 0°, in carbon disulfide at r.t. for 24 h (52%) or by Friedel–Crafts acylation using samarium triiodide.
Suppliers3 total
上海平果医药科技有限公司021-20432229 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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