2-Methoxyestradiol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 350
Total Number of Articles : 418
PubChem 66414
Molecular Formula

C19H26O3

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O

InChI

InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1

synonyms
  • 2-Methoxyestradiol
  • 362-07-2
  • Panzem
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Properties
Property Value
MW 302.4 g/mol
HBD 2
HBA 3
Rotatable Bond Count 1
Exact Mass 302.18819469 g/mol
Monoisotopic Mass 302.18819469 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 425
xlogp 4
Topological Polar Surface Area 49.7