2,4-Dimethoxy-2'-hydroxychalcone

CAT: 0926-FD158687-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FD158687-02Size:1 g

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CAS Number

36685-63-9

MDL Number

MFCD00016445

Smiles

COC1=CC (=C (C=C1) C=CC (=O) C2=CC=CC=C2O) OC

Molecular Formula

C17H16O4

Molecular Weight

284.31 g/mol

Controlled

Chemical Information

CID 253086

CAS Number	36685-63-9
PubChem CID	253086
IUPAC Name	3-(2,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Molecular Formula	C17H16O4
Molecular Weight	284.31
XLogP	3.8
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	366

SMILES

COC1=CC(=C(C=C1)C=CC(=O)C2=CC=CC=C2O)OC

InChI

InChI=1S/C17H16O4/c1-20-13-9-7-12(17(11-13)21-2)8-10-16(19)14-5-3-4-6-15(14)18/h3-11,18H,1-2H3

InChIKey

ORIBPRISLKRPRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36685-63-9

CID: 253086

Formula: C17H16O4

MW: 284.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.31
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	284.10485899
Monoisotopic Mass	284.10485899
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	366
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH192207	3,4-Dimethoxy-2'-hydroxychalcone
PC6537	3,4-Dimethoxy-5'-fluoro-2'-hydroxychalcone
M21306-01	2-Hydroxychalcone
GTR19183654-01	2'-Hydroxychalcone
sc-356927	4'-Fluoro-2-hydroxychalcone
OR14419	2-Chloro-4'-hydroxychalcone
HY-W012349-01	2′-Hydroxychalcone
B1921-1000	4'-Hydroxychalcone
GTR19171121-01	4-Hydroxychalcone