chempirical

4-Hydroxytamoxifen

C26H29NO2CAS 68047-06-3387.52 g/mol

Open in Covalent MOL file
OHON
AlkeneEtherPhenolTertiary amine

Properties

Molecular formula
C26H29NO2
Molar mass
387.52 g/mol
Exact mass
387.2198 Da
logP
5.70Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Identifiers

CAS number
68047-06-3
SMILES
CC/C(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChIKey
TXUZVZSFRXZGTL-QPLCGJKRSA-N
InChI
InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Phenol, 4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-
  • Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-, (Z)-
  • Phenol, 4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-
  • 4-[(1Z)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol
  • Hydroxytamoxifen
  • ICI 79280
  • trans-Hydroxytamoxifen
  • trans-4-Hydroxytamoxifen
  • (Z)-4-Hydroxytamoxifen
  • 4-[(1Z)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol
  • 4-Hydroxy-(Z)-tamoxifen
  • (Z)-4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenylbut-1-en-1-yl]phenol

Work with 4-Hydroxytamoxifen

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

Tamoxifen10540-29-186 % similar Endoxifen112093-28-469 % similar Tamoxifen citrate54965-24-163 % similar Toremifene89778-26-763 % similar Droloxifene citrate97752-20-062 % similar Toremifene citrate89778-27-849 % similar Enclomiphene15690-57-045 % similar Diethylstilbestrol56-53-145 % similar

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

Same formula

4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol68392-35-8 Droloxifene82413-20-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook