chempirical

Droloxifene

C26H29NO2CAS 82413-20-5387.52 g/mol

Open in Covalent MOL file
ONHO
AlkeneEtherPhenolTertiary amine

Properties

Molecular formula
C26H29NO2
Molar mass
387.52 g/mol
Exact mass
387.2198 Da
Melting point
158–159 °C
logP
5.70Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
82413-20-5
SMILES
CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1
InChIKey
ZQZFYGIXNQKOAV-OCEACIFDSA-N
InChI
InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+

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Names and synonyms

9 names
  • Phenol, 3-[(1E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-
  • Phenol, 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-, (E)-
  • Phenol, 3-[(1E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-
  • 3-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol
  • K 060
  • K 21.060E
  • 3-Hydroxytamoxifen
  • K 060E
  • E-Droloxifene

Work with Droloxifene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tamoxifen10540-29-179 % similar Droloxifene citrate97752-20-073 % similar Tamoxifen citrate54965-24-159 % similar Toremifene89778-26-758 % similar Endoxifen112093-28-458 % similar Toremifene citrate89778-27-846 % similar Enclomiphene15690-57-042 % similar Clomiphene911-45-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Hydroxytamoxifen68047-06-3 4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol68392-35-8

Elsewhere

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