2,2'-Dihydroxy-4',6'-dimethoxychalcone - CAS 1776-28-9

Catalog:	BB063157
Product Name:	2,2'-Dihydroxy-4',6'-dimethoxychalcone
CAS:	1776-28-9
Synonyms:	1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one

Technical Data

IUPAC Name:	(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Description:	2,2'-Dihydroxy-4',6'-dimethoxychalcone is useful in the synthesis of prostaglandin reductase inhibitors for treatment of peroxisome proliferator-activated receptor-related diseases.
Molecular Weight:	300.31
Molecular Formula:	C17H16O5
Canonical SMILES:	COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2O)O
InChI:	InChI=1S/C17H16O5/c1-21-12-9-15(20)17(16(10-12)22-2)14(19)8-7-11-5-3-4-6-13(11)18/h3-10,18,20H,1-2H3/b8-7+
InChI Key:	ONIYXBSQSPCBOF-BQYQJAHWSA-N
References:	Lin, R., et al. PCT Int. Appl., 33 (2007).

Complexity:	395
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	300.09977361
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	300.09977361
Rotatable Bond Count:	5
Topological Polar Surface Area:	76Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5