Free Chemical Databases
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[Synonyms]
Iodonorhexestrol
1-Iodo-2,3-bis(4-hydroxyphenyl)pentane
Phenol, 4,4'-(1-ethyl-2-(iodo-125I-methyl)-1,2-ethanediyl)bis-, (R*,S*)-
83181-42-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 382.23603 [g/mol] Molecular Formula C17H19IO2 XLogP 5.4 H-Bond Donor 2 H-Bond Acceptor 2 Rotatable Bond Count 5 Tautomer Count 4 Exact Mass 382.042973 MonoIsotopic Mass 382.042973 Topological Polar Surface Area 40.5 Heavy Atom Count 20 Formal Charge 0 Complexity 268 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-[2-(4-hydroxyphenyl)-1-iodopentan-3-yl]phenol
Canonical SMILES: CCC(C1=CC=C(C=C1)O)C(CI)C2=CC=C(C=C2)O
InChI: InChI=1/C17H19IO2/c1-2-16(12-3-7-14(19)8-4-12)17(11-18)13-5-9-15(20)10-
6-13/h3-10,16-17,19-20H,2,11H2,1H3
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