Basic information
- CAS
1889-72-1- Standard SMILES
Cc1cc(C)c(C(=O)Cc2ccccc2)c(C)c1- InChIKey
ASRAXLRGELKLDQ-UHFFFAOYSA-N- Molecular formula
- C17H18O
- Average molar mass
- 238.32 g/mol
- Monoisotopic mass
- 238.13576519
Names & identifiers
- Preferred name
- Ethanone, 2-phenyl-1-(2,4,6-trimethylphenyl)-
- IUPAC
- 2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
Names & synonyms
1889-72-1Ethanone, 2-phenyl-1-(2,4,6-trimethylphenyl)-2',4',6'-Trimethyl-2-phenylacetophoneNSC 406969NSC-4069692-Phenyl-1-(2,4,6-trimethylphenyl)ethan-1-one1-mesityl-2-phenylethanone2-phenyl-1-(2,4,6-trimethylphenyl)ethanoneNSC406969QQT9E6UF8J2,4,6-Trimethyldeoxybenzoin2.4.6-Trimethyldesoxybenzoin
Show more names
SCHEMBL59980591-Mesityl-2-phenylethan-1-oneSCHEMBL19041261DTXSID80940399Benzyl 2,4,6-trimethylphenyl ketoneAcetophenone, 2',4',6'-trimethyl-2-phenyl-
Database identifiers
- CAS
1889-72-1- PubChem CID
- 347997
- DTXSID
DTXSID80940399- UNII
- QQT9E6UF8J
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
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…