Free Chemical Databases
-
[Synonyms]
NSC339887
80464-90-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 208.25364 [g/mol] Molecular Formula C12H16O3 XLogP 2.4 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 3 Tautomer Count 13 Exact Mass 208.109944 MonoIsotopic Mass 208.109944 Topological Polar Surface Area 49.7 Heavy Atom Count 15 Formal Charge 0 Complexity 221 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-methoxy-5-(3-methylbut-2-enyl)benzene-1,4-diol
Canonical SMILES: CC(=CCC1=CC(=C(C=C1O)OC)O)C
InChI: InChI=1/C12H16O3/c1-8(2)4-5-9-6-11(14)12(15-3)7-10(9)13/h4,6-7,13-14H,
5H2,1-3H3
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