3-Pentanone, 2-methyl-4-phenyl-
Basic information
- CAS
20474-49-1- Standard SMILES
CC(C)C(=O)C(C)c1ccccc1- InChIKey
PIHILDSKUZXCLF-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 3-Pentanone, 2-methyl-4-phenyl-
- IUPAC
- 2-methyl-4-phenylpentan-3-one
Names & synonyms
3-Pentanone, 2-methyl-4-phenyl-20474-49-1DTXSID40341005RefChem:281584DTXCID20292086PIHILDSKUZXCLF-UHFFFAOYSA-N2-methyl-4-phenylpentan-3-oneSCHEMBL9911551SCHEMBL108724702-Methyl-4-phenyl-3-pentanone #AKOS017850487
Database identifiers
- CAS
20474-49-1- PubChem CID
- 569178
- DTXSID
DTXSID40341005- Nikkaji
- J1.078.794G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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