2-Methyl-1-phenylpent-4-en-1-one
Basic information
- CAS
17180-49-3- Standard SMILES
C=CCC(C)C(=O)c1ccccc1- InChIKey
VORQMPSCRBRONH-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 2-Methyl-1-phenylpent-4-en-1-one
- IUPAC
- 2-methyl-1-phenylpent-4-en-1-one
Names & synonyms
2-methyl-1-phenylpent-4-en-1-one17180-49-3DTXSID20497059RefChem:263010DTXCID904478692-methyl-1-phenyl-4-penten-1-onea-methyl-a-allylacetophenoneSCHEMBL6693933
Database identifiers
- CAS
17180-49-3- PubChem CID
- 12412166
- DTXSID
DTXSID20497059- Nikkaji
- J754.760I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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