5-[1-(4-Fluorophenyl)ethyl]-6-methoxy-1,3-benzodioxole
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Basic information
- CAS
90632-71-6- Standard SMILES
COc1cc2c(cc1C(C)c1ccc(F)cc1)OCO2- InChIKey
DUXHDPMGAMLDGV-UHFFFAOYSA-N- Molecular formula
- C16H15FO3
- Average molar mass
- 274.29 g/mol
- Monoisotopic mass
- 274.1005225
Names & identifiers
- Preferred name
- 5-[1-(4-Fluorophenyl)ethyl]-6-methoxy-1,3-benzodioxole
- IUPAC
- 5-[1-(4-fluorophenyl)ethyl]-6-methoxy-1,3-benzodioxole
Names & synonyms
NSC35929490632-71-6CHEMBL48896DTXSID80320435NSC-3592945-[1-(4-Fluorophenyl)ethyl]-6-methoxy-2H-1,3-benzodioxole
Database identifiers
- CAS
90632-71-6- PubChem CID
- 338141
- DTXSID
DTXSID80320435- ChEMBL
CHEMBL48896
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
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