[4-(2-Hydroxyethoxy)phenyl]phenylmethanone - CAS 14814-17-6

Catalog:	BB060808
Product Name:	[4-(2-Hydroxyethoxy)phenyl]phenylmethanone
CAS:	14814-17-6
Synonyms:	[4-(2-Hydroxyethoxy)phenyl]phenyl-methanone; 4-(2-Hydroxyethoxy)-benzophenone; 1-Hydroxy-2-(4-benzoylphenoxy)ethane; 2-(4-Benzoylphenoxy)ethanol; 4-(2-Hydroxyethoxy)benzophenone; [4-(2-(Hydroxy)ethoxy)phenyl]phenylmethanone

Technical Data

IUPAC Name:	[4-(2-hydroxyethoxy)phenyl]-phenylmethanone
Description:	[4-(2-Hydroxyethoxy)phenyl]phenylmethanone is an intermediate in the synthesis of E-Ospemifene (O703005). E-Ospemifene is the E-isomer of Ospemifene (O703000) and is useful for lowering serum cholesterol. It acts as an anti-atherosclerotic and is also estrogen-like.
Molecular Weight:	242.27
Molecular Formula:	C15H14O3
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCO
InChI:	InChI=1S/C15H14O3/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChI Key:	PNTLMFABGCHLMN-UHFFFAOYSA-N
Solubility:	Chloroform, Dichloromethane, DMSO, Methanol
Appearance:	White Solid
Storage:	Refrigerator
References:	Sodervall, M., et al. PCT Int. Appl. WO 9942427 A1 19990826. Aug 26, 1999.

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.094294304
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5