2',4'-Dimethoxychalcone

CAT: 0926-FD66658-03Size: 5000 mgDry Ice: NoHazardous: No

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CAT#:0926-FD66658-03Size:5000 mg

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CAS Number

1154-77-4

MDL Number

MFCD00017170

Smiles

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

Molecular Formula

C17H16O3

Molecular Weight

268.31 g/mol

Controlled

Chemical Information

2',4'-Dimethoxychalcone

structure in first source

CAS Number	1154-77-4
PubChem CID	5837330
IUPAC Name	(E)-1-(2,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Molecular Formula	C17H16O3
Molecular Weight	268.31
XLogP	3.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	331

SMILES

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

InChI

InChI=1S/C17H16O3/c1-19-14-9-10-15(17(12-14)20-2)16(18)11-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b11-8+

InChIKey

ZRDCNUALRUCCPA-DHZHZOJOSA-N

Chemical Structure

2D Structure

CAS: 1154-77-4

CID: 5837330

Formula: C17H16O3

MW: 268.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.31
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	268.109944368
Monoisotopic Mass	268.109944368
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BGA13564-01	4'-Hydroxy-2, dimethoxychalcone
FD54160	4,4'-Dimethoxychalcone
FD66382-01	2,2'-Dihydroxy-4',6'-dimethoxychalcone
DCA74428-01	3,4-Dimethoxychalcone
FH66765-01	2'-Hydroxy-3,4-dimethoxychalcone
FD66229-01	4,2'-Dihydroxy-4',6'-dimethoxychalcone
FD137917-01	3,4-Dimethoxychalcone
EDA14020	(E) -2'-Hydroxy-3,4-dimethoxychalcone
EFA72443-01	2',4'-Dihydroxy-3',6'-dimethoxychalcone
FD65338	2',4'-Dihydroxy-3',6'-Dimethoxychalcone

Catalog	Name
HY-W082859A	(E) -2′,4′-Dimethoxychalcone
MBS5761562	4'-Hydroxy-2,4-dimethoxychalcone
M31967-01	4-Hydroxy-2,4-dimethoxychalcone
T7985-01	4,4'-Dimethoxychalcone
MBS5758838	4,4-Dimethoxychalcone
TRC-H296895-500MG	2'-Hydroxy-3,4-dimethoxychalcone
M37838-01	2-Hydroxy-3,4-dimethoxychalcone
GW3024-10mg	3,4-Dimethoxychalcone
MBS5761345	2',6'-Dihydroxy-4,4'-dimethoxychalcone
011609	α-Ethyl-4,4'-dimethoxychalcone