3’,4’-Dimethoxyflavanone

CAT: 0926-XD182861-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-XD182861-02Size:25 mg

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CAS Number

6344-21-4

Smiles

COC1=C (C=C (C=C1) C2CC (=O) C3=CC=CC=C3O2) OC

Molecular Formula

C17H16O4

Molecular Weight

284.31 g/mol

Controlled

Chemical Information

2-(3,4-Dimethoxyphenyl)-2,3-dihydro-4H-chromen-4-one

CAS Number	6344-21-4
PubChem CID	242061
IUPAC Name	2-(3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
Molecular Formula	C17H16O4
Molecular Weight	284.31
XLogP	2.8
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	370

SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3=CC=CC=C3O2)OC

InChI

InChI=1S/C17H16O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-9,16H,10H2,1-2H3

InChIKey

JFIUXPGYJBPFAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6344-21-4

CID: 242061

Formula: C17H16O4

MW: 284.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.31
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	284.10485899
Monoisotopic Mass	284.10485899
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	370
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
XD182832-01	6,4'-Dimethoxyflavanone
XD182834-01	5,4'-Dimethoxyflavanone
XD182862-01	6,3'-Dimethoxyflavanone
GAA95157-01	6,4'-Dihydroxy-5,7-dimethoxyflavanone
BAA03672	5,7-Dimethoxyflavanone
XD182833-01	7,8-Dimethoxyflavanone
CBC18885-01	(2R) -5,7-Dimethoxyflavanone
ECA37724-01	7-Hydroxy-5,8-dimethoxyflavanone
NEA98149-01	5-Hydroxy-7,8-dimethoxyflavanone
BEC33814-01	2',7-Dihydroxy-5,8-dimethoxyflavanone

Catalog	Name
T123651-01	5,7-Dimethoxyflavanone
T124373-01	6,4'-Dihydroxy-5,7-dimethoxyflavanone
TN1232	(R) -5,7-Dimethoxyflavanone
M31603-01	(2R) -5,7-Dimethoxyflavanone
TBW00341	(2R)-5,7-Dimethoxyflavanone
379268	5-Hydroxy-7,8-dimethoxyflavanone
GTR19233219	8-Hydroxy-5,7-dimethoxyflavanone
HY-N2749	7-Hydroxy-5,8-dimethoxyflavanone
371093	(2R) -5,7-Dimethoxyflavanone discontinued