4-methoxyequilenin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 2
PubChem 3082798
Molecular Formula

C19H20O3

SMILES

C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4OC)O

InChI

InChI=1S/C19H20O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h3-5,7,15,20H,6,8-10H2,1-2H3/t15-,19-/m0/s1

synonyms
  • 4-Methoxyequilenin
  • 116506-50-4
  • Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-4-methoxy-
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Properties
Property Value
MW 296.4 g/mol
HBD 1
HBA 3
Rotatable Bond Count 1
Exact Mass 296.14124450 g/mol
Monoisotopic Mass 296.14124450 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 462
xlogp 3.4
Topological Polar Surface Area 46.5