Methyl 3-(4-Methoxyphenoxy)benzoate - CAS 64691-60-7

Catalog:	BB058979
Product Name:	Methyl 3-(4-Methoxyphenoxy)benzoate
CAS:	64691-60-7
Synonyms:	Methyl 3-(4-methoxyphenoxy)benzoate; 3-(4-Methoxyphenoxy)benzoic acid methyl ester

Technical Data

IUPAC Name:	methyl 3-(4-methoxyphenoxy)benzoate
Description:	Methyl 3-(4-Methoxyphenoxy)benzoate is an intermediate in the synthesis of 3-(4'-Hydroxy)phenoxybenzoic Acid (H951225), which is a metabolite of pyrethroid insecticides such as: Deltamethrin, Permethrin, Cypermethrin, Fenvalerate, Decamethrin.
Molecular Weight:	258.27
Molecular Formula:	C15H14O4
Canonical SMILES:	COC1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)OC
InChI:	InChI=1S/C15H14O4/c1-17-12-6-8-13(9-7-12)19-14-5-3-4-11(10-14)15(16)18-2/h3-10H,1-2H3
InChI Key:	OFJGXODPQIVIGK-UHFFFAOYSA-N
References:	Woollen, B., et al. Xenobiotica, 22, 983 (1992), Saito, K., et al. Toxicol. Sci., 57, 54 (2000), Fang, H., et al. Chem. Res. Toxicol., 14, 280 (2001), Andersen, H., et al. Toxicol. Appl. Pharmacol., 179, 1 (2002),.

Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.08920892
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	258.08920892
Rotatable Bond Count:	5
Topological Polar Surface Area:	44.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8