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4-Hydroxy Ospemifene (Ospemifene Impurity)

CAT: 0572-TRC-H950140-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H950140-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
128585-01-3
Synonyms
4-[(1Z)-4-chloro-1-[4-(2-hydroxyethoxy)phenyl]-2-phenyl-1-butenyl]-phenol
Hazard Statement
Very toxic to aquatic life; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
OCCOc1ccc(cc1)\C(=C(\CCCl)/c2ccccc2)\c3ccc(O)cc3
Molecular Formula
C24 H23 Cl O3
Molecular Weight
394.89
InChI
InChI=1S/C24H23ClO3/c25-15-14-23(18-4-2-1-3-5-18)24(19-6-10-21(27)11-7-19)20-8-12-22(13-9-20)28-17-16-26/h1-13,26-27H,14-17H2/b24-23-
Additionnal Information
IUPAC name: 4-[(Z)-4-chloro-1-[4-(2-hydroxyethoxy)phenyl]-2-phenyl-but-1-enyl]phenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-[(Z)-4-chloro-1-[4-(2-hydroxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CAS Number128585-01-3
PubChem CID3036504
IUPAC Name4-[(Z)-4-chloro-1-[4-(2-hydroxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol
Molecular FormulaC24H23ClO3
Molecular Weight394.9
XLogP6.1
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity470
SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=C(C=C2)O)\C3=CC=C(C=C3)OCCO)/CCCl
InChI
InChI=1S/C24H23ClO3/c25-15-14-23(18-4-2-1-3-5-18)24(19-6-10-21(27)11-7-19)20-8-12-22(13-9-20)28-17-16-26/h1-13,26-27H,14-17H2/b24-23-
InChIKey
ISISSTPNAJAQFE-VHXPQNKSSA-N
Chemical Structure
2D Structure
2D structure of 4-[(Z)-4-chloro-1-[4-(2-hydroxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CAS: 128585-01-3
CID: 3036504
Formula: C24H23ClO3
MW: 394.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.9
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass394.1335723
Monoisotopic Mass394.1335723
Topological Polar Surface Area49.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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