3-Methoxy-2',4',6',4-tetrahydroxychalcone - CAS 52218-19-6

Catalog:	BB060044
Product Name:	3-Methoxy-2',4',6',4-tetrahydroxychalcone
CAS:	52218-19-6
Synonyms:	2',4,4',6'-Tetrahydroxy-3-methoxychalcone; 3-(4-Hydroxy-3-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one

Technical Data

IUPAC Name:	3-(4-hydroxy-3-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Description:	3-Methoxy-2',4',6',4-tetrahydroxychalcone can be used to produce flavonoids.
Molecular Weight:	302.28
Molecular Formula:	C16H14O6
Canonical SMILES:	COC1=C(C=CC(=C1)C=CC(=O)C2=C(C=C(C=C2O)O)O)O
InChI:	InChI=1S/C16H14O6/c1-22-15-6-9(2-4-11(15)18)3-5-12(19)16-13(20)7-10(17)8-14(16)21/h2-8,17-18,20-21H,1H3
InChI Key:	WQWVIIRCVOZVPN-UHFFFAOYSA-N
Melting Point:	190 - 192°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Orange to Dark Yellow Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	Szabo, L., PCT Int. Appl. WO 2021053513 A1, 110, (2021).

Complexity:	397
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.07903816
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	302.07903816
Rotatable Bond Count:	4
Topological Polar Surface Area:	107Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	2.9