2-((3-Methoxyphenoxy)methyl)oxirane - CAS 2210-75-5

Catalog:	BB063684
Product Name:	2-((3-Methoxyphenoxy)methyl)oxirane
CAS:	2210-75-5
Synonyms:	1-(Glycidyloxy)-3-methoxybenzene; 3-Methoxyphenyl glycidyl etherGlycidyl 3-methoxyphenyl ether; Glycidyl m-methoxyphenyl ether

Technical Data

IUPAC Name:	2-[(3-methoxyphenoxy)methyl]oxirane
Description:	2-((3-Methoxyphenoxy)methyl)oxirane, cna be used in the synthesis of Ranolazine (R122500), an anti-ischemic agent which modulates myocardial metabolism. Antianginal.
Molecular Weight:	180.2
Molecular Formula:	C10H12O3
Canonical SMILES:	COC1=CC(=CC=C1)OCC2CO2
InChI:	InChI=1S/C10H12O3/c1-11-8-3-2-4-9(5-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3
InChI Key:	UCGYCLBMTBEQQM-UHFFFAOYSA-N
References:	Chaitman, B.R., et al. J. Am. Coll. Cardial., 43, 1375 (2004), McCormack, J.G., et al. Gen. Pharmacol., 30, 639 (1998), Schofield, J.A.H., et al. Expert Opin. Invest. Drugs, 11, 117 (2002),.

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.078644241
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	31Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6