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4’-Hydroxy Ospemifene (Ospemifene Impurity)

CAT: 0572-TRC-H950145-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H950145-250MGSize:250 mg
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CAS Number
341525-22-2
Synonyms
4'-Hydroxy Ospemifene (Ospemifene Impurity)
Hazard Statement
No Data Available
Smiles
OCCOc1ccc(cc1)\C(=C(\CCCl)/c2ccc(O)cc2)\c3ccccc3
Molecular Formula
C24 H23 Cl O3
Molecular Weight
394.891
InChI
InChI=1S/C24H23ClO3/c25-15-14-23(18-6-10-21(27)11-7-18)24(19-4-2-1-3-5-19)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]-1-phenylbut-1-en-2-yl]phenol
Shipping Conditions
Room Temperature

Chemical Information

(Z)-4-(1-(2-Chloroethyl)-2-(4-(2-hydroxyethoxy)phenyl)-2-phenylvinyl)phenol
CAS Number341525-22-2
PubChem CID22504506
IUPAC Name4-[(Z)-4-chloro-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbut-1-en-2-yl]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(\CCCl)/C2=CC=C(C=C2)O)/C3=CC=C(C=C3)OCCO
InChI
InChI=1S/C24H23ClO3/c25-15-14-23(18-6-10-21(27)11-7-18)24(19-4-2-1-3-5-19)20-8-12-22(13-9-20)28-17-16-26/h1-13,26-27H,14-17H2/b24-23-
InChIKey
WFTBLFDILSTJOO-VHXPQNKSSA-N
Chemical Structure
2D Structure
2D structure of (Z)-4-(1-(2-Chloroethyl)-2-(4-(2-hydroxyethoxy)phenyl)-2-phenylvinyl)phenol
CAS: 341525-22-2
CID: 22504506
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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CS-O-16333Rac-4-Hydroxy Ospemifene (M1)
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