Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 202.29212 [g/mol] Molecular Formula C14H18O XLogP 4.2 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 202.135765 MonoIsotopic Mass 202.135765 Topological Polar Surface Area 17.1 Heavy Atom Count 15 Formal Charge 0 Complexity 232 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: 1-[4-(2-methylpent-2-enyl)phenyl]ethanone
Canonical SMILES: CCC=C(C)CC1=CC=C(C=C1)C(=O)C
InChI: InChI=1/C14H18O/c1-4-5-11(2)10-13-6-8-14(9-7-13)12(3)15/h5-9H,4,10H2,
1-3H3
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