4-[2-Ethyl-1-(4-fluorophenyl)but-1-en-1-yl]phenyl acetate
Basic information
- CAS
84836-33-9- Standard SMILES
CCC(CC)=C(c1ccc(F)cc1)c1ccc(OC(C)=O)cc1- InChIKey
LFVPWWCXDKGUCR-UHFFFAOYSA-N- Molecular formula
- C20H21FO2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.15255807
Names & identifiers
- Preferred name
- 4-[2-Ethyl-1-(4-fluorophenyl)but-1-en-1-yl]phenyl acetate
- IUPAC
- [4-[2-ethyl-1-(4-fluorophenyl)but-1-enyl]phenyl] acetate
Names & synonyms
84836-33-94-[2-ethyl-1-(4-fluorophenyl)but-1-en-1-yl]phenyl acetateNSC88912NCIOpen2_009691DTXSID90293363NSC-88912
Database identifiers
- CAS
84836-33-9- PubChem CID
- 259208
- DTXSID
DTXSID90293363
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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