1-(4-Methoxyphenyl)-4-penten-2-one
Basic information
- CAS
205744-98-5- Standard SMILES
C=CCC(=O)Cc1ccc(OC)cc1- InChIKey
ZTLDBTBLLXJUKC-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-4-penten-2-one
- IUPAC
- 1-(4-methoxyphenyl)pent-4-en-2-one
Names & synonyms
1-(4-Methoxyphenyl)-4-penten-2-one205744-98-5RefChem:2253651-(4-methoxyphenyl)pent-4-en-2-oneSCHEMBL8656429DTXSID501297667AKOS010638290
Database identifiers
- CAS
205744-98-5- PubChem CID
- 61380227
- DTXSID
DTXSID501297667- Nikkaji
- J947.665B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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