2'-Hydroxy-3,4-dimethoxychalcone - CAS 19152-36-4

Catalog:	BB064235
Product Name:	2'-Hydroxy-3,4-dimethoxychalcone
CAS:	19152-36-4
Synonyms:	3-(3,4-Dimethoxyphenyl)-1-(2'-hydroxyphenyl)-2-propene-1-one; 3-(3,4-Dimethoxyphenyl)-1-(2-hydroxyphenyl)-2-propen-1-one; 2-[3-(3,4-Dimethoxyphenyl)-2-propenoyl]phenol

Technical Data

IUPAC Name:	(E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Description:	2'-Hydroxy-3,4-dimethoxychalcone, is a building block used in various chemical synthesis such as in the synthesis of new flavanoid and chalcone derivatives as antimicrobial agent by green chemistry approach.
Molecular Weight:	284.31
Molecular Formula:	C17H16O4
Canonical SMILES:	COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2O)OC
InChI:	InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+
InChI Key:	MFLSRHQHCDTOGH-VQHVLOKHSA-N
Melting Point:	113 - 115°C
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	Yellow to Orange Solid
Storage:	Amber Vial, -20°C Freezer, Under inert atmosphere
References:	Patel, Ash. et al. International Journal of Pharmaceutical Sciences and Research, Vol. 8, P: 2725-2730 (2017).

Complexity:	366
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	284.10485899
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	284.10485899
Rotatable Bond Count:	5
Topological Polar Surface Area:	55.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8