3-(3,4-Dimethoxyphenyl)-1-(2-hydroxyphenyl)propan-1-one - CAS 86383-39-3

Catalog:	BB063198
Product Name:	3-(3,4-Dimethoxyphenyl)-1-(2-hydroxyphenyl)propan-1-one
CAS:	86383-39-3
Synonyms:	3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)propan-1-one; 1-Propanone, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-; 2'-hydroxy-3,4-dimethoxydihydrochalcone; 1-(2-Hydroxyphenyl)-3-(3,4-dimethoxyphenyl)propan-1-one

Technical Data

IUPAC Name:	3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)propan-1-one
Description:	3-(3,4-Dimethoxyphenyl)-1-(2-hydroxyphenyl)propan-1-one is an intermediate for the synthesis of dTAG-7 (D710015), which is a degradation tag, was tested for its efficiency at depleting FKBP12F36V -MELK(sg3R) and was found to have significantly degraded FKBP12F36V -MELK(sg3R) within 4 hours.Used in the study of cancer research.
Molecular Weight:	286.32
Molecular Formula:	C17H18O4
Canonical SMILES:	COC1=C(C=C(C=C1)CCC(=O)C2=CC=CC=C2O)OC
InChI:	InChI=1S/C17H18O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-6,8,10-11,18H,7,9H2,1-2H3
InChI Key:	BPPCJRUZFNUAPY-UHFFFAOYSA-N
Solubility:	Dichloromethane; Ethyl Acetate
Appearance:	White Solid
Storage:	-20°C Freezer, Under inert atmosphere
References:	Hai-Tsang Huang., eLife, 1-29, (2017).

Complexity:	331
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.12050905
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	286.12050905
Rotatable Bond Count:	6
Topological Polar Surface Area:	55.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6