chempirical

Ospemifene

C24H23ClO2CAS 128607-22-7378.90 g/mol

Open in Covalent MOL file
HOOCl
AlcoholAlkeneAlkyl halideEther

Properties

Molecular formula
C24H23ClO2
Molar mass
378.90 g/mol
Exact mass
378.1387 Da
logP
5.65Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
8
Double bonds
ZE/Z, in SMILES order

Identifiers

CAS number
128607-22-7
SMILES
OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChIKey
LUMKNAVTFCDUIE-VHXPQNKSSA-N
InChI
InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-

Weigh it out

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

Names and synonyms

8 names
  • Ethanol, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-buten-1-yl]phenoxy]-
  • Ethanol, 2-[4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy]-, (Z)-
  • Ethanol, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-butenyl]phenoxy]-
  • 2-[4-[(1Z)-4-Chloro-1,2-diphenyl-1-buten-1-yl]phenoxy]ethanol
  • Fc 1271
  • FC 1271a
  • Osphena
  • Senshio

Work with Ospemifene

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

Toremifene89778-26-767 % similar Toremifene citrate89778-27-851 % similar Phenoxyethanol122-99-650 % similar Hydroquinone bis(2-hydroxyethyl) ether104-38-146 % similar Tamoxifen10540-29-145 % similar Endoxifen112093-28-443 % similar 2-(4-Chlorophenoxy)ethanol1892-43-943 % similar 4-Hydroxytamoxifen68047-06-343 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook