Basic information
- CAS
27134-29-8- Standard SMILES
COc1ccccc1C#CC#CC(=O)c1ccco1- InChIKey
CFKYKANXAQSBJF-UHFFFAOYSA-N- Molecular formula
- C16H10O3
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.06299418
Names & identifiers
- Preferred name
- 2,4-Pentadiyn-1-one, 1-(2-furyl)-5-(methoxyphenyl)-
- IUPAC
- 1-(furan-2-yl)-5-(2-methoxyphenyl)penta-2,4-diyn-1-one
Names & synonyms
2,4-Pentadiyn-1-one, 1-(2-furyl)-5-(methoxyphenyl)-27134-29-81-(2-Furyl)-5-(methoxyphenyl)-2,4-pentadiyn-1-oneDTXSID30181598RefChem:246874DTXCID701040891-(furan-2-yl)-5-(2-methoxyphenyl)penta-2,4-diyn-1-one
Database identifiers
- CAS
27134-29-8- PubChem CID
- 213845
- DTXSID
DTXSID30181598
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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