CAS 106245-03-8 1-(2-(Benzyloxy)-4-fluorophenyl)ethanone (HCID 21241577)

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Basic information

CAS: 106245-03-8
Standard SMILES: CC(=O)c1ccc(F)cc1OCc1ccccc1
InChIKey: VUAZCYADAXHDKI-UHFFFAOYSA-N
Molecular formula: C15H13FO2
Average molar mass: 244.26 g/mol
Monoisotopic mass: 244.08995788

Names & identifiers

Preferred name: 1-(2-(Benzyloxy)-4-fluorophenyl)ethanone
IUPAC: 1-(4-fluoro-2-phenylmethoxyphenyl)ethanone
English name: 1-(2-(benzyloxy)-4-fluorophenyl)ethanone
Molecular formula: C15H13FO2
Molecular weight: 244.26

Names & synonyms

1-(2-(benzyloxy)-4-fluorophenyl)ethanone106245-03-81-(4-fluoro-2-phenylmethoxyphenyl)ethanoneMFCD176258831-[2-(Benzyloxy)-4-fluorophenyl]ethan-1-oneEthanone, 1-[4-fluoro-2-(phenylmethoxy)phenyl]-1-[2-(benzyloxy)-4-fluorophenyl]ethanone1-[4-fluoro-2-(phenylmethoxy)phenyl]ethanone1-(2-(benzyloxy)-4-fluorophenyl)ethan-1-one1-(2-(Benzyloxy)SCHEMBL1041517SCHEMBL30956730

Show more names

DTXSID80611557VUAZCYADAXHDKI-UHFFFAOYSA-N2'-(benzyloxy)4'-fluoroacetophenone2'-(benzyloxy)-4'-fluoroacetophenoneAKOS0123683891-(2-benzyloxy-4-fluoro-phenyl)ethanoneAS-64768SY113596

Database identifiers

CAS: 106245-03-8
PubChem CID: 21241577
DTXSID: DTXSID80611557

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 274

Physicochemical properties

Melting point: 58 · 58-59℃
Boiling point: 355.1 · 355.1±27.0 °C(Predicted)
Density: 1.163 · 1.163
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501