3'-tert-Butyl-2-methylpropiophenone
Basic information
- CAS
1443342-30-0- Standard SMILES
CC(C)C(=O)c1cccc(C(C)(C)C)c1- InChIKey
ZDGYAGHIKQTMPC-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- 3'-tert-Butyl-2-methylpropiophenone
- IUPAC
- 1-(3-tert-butylphenyl)-2-methylpropan-1-one
- English name
- 1-(3-tert-butylphenyl)-2-methylpropan-1-one
- Molecular formula
- C14H20O
- Molecular weight
- 204.308
Names & synonyms
1443342-30-03'-tert-Butyl-2-methylpropiophenone1-(3-(tert-Butyl)phenyl)-2-methylpropan-1-one1-[3-(1,1-Dimethylethyl)phenyl]-2-methyl-1-propanone1-(3-tert-butylphenyl)-2-methylpropan-1-oneMFCD22373033starbld0033635SCHEMBL13044083DTXSID2012096271-(3-tert-butylphenyl)-2-methyl-propan-1-oneF3966371-Propanone, 1-[3-(1,1-dimethylethyl)phenyl]-2-methyl-
Database identifiers
- CAS
1443342-30-0- PubChem CID
- 22175136
- DTXSID
DTXSID201209627
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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