Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 226.245643 [g/mol] Molecular Formula C15H11FO XLogP 4 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 3 Exact Mass 226.079393 MonoIsotopic Mass 226.079393 Topological Polar Surface Area 17.1 Heavy Atom Count 17 Formal Charge 0 Complexity 279 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-(2-fluorophenyl)-1-phenylprop-2-en-1-one
Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2F
InChI: InChI=1/C15H11FO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11H
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