2-hydroxyestradiol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 85
Total Number of Articles : 122
PubChem 247304
Molecular Formula

C18H24O3

SMILES

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

InChI

InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1

synonyms
  • 2-Hydroxyestradiol
  • 362-05-0
  • 2-OH-Estradiol
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Properties
Property Value
MW 288.4 g/mol
HBD 3
HBA 3
Rotatable Bond Count 0
Exact Mass 288.17254462 g/mol
Monoisotopic Mass 288.17254462 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 411
xlogp 3.7
Topological Polar Surface Area 60.7