3-Hydroxy-3',4'-dimethoxy-6-methyl flavone

CAT: 0926-XH183010-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XH183010-01Size:50 mg

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CAS Number

93097-20-2

MDL Number

MFCD02660599

Smiles

O=C1C (O) =C (OC2=CC=C (C=C21) C) C=3C=CC (OC) =C (OC) C3

Molecular Formula

C18H16O5

Molecular Weight

312.32 g/mol

Controlled

Chemical Information

2-(3,4-Dimethoxyphenyl)-3-hydroxy-6-methylchromen-4-one

CAS Number	93097-20-2
PubChem CID	688844
IUPAC Name	2-(3,4-dimethoxyphenyl)-3-hydroxy-6-methylchromen-4-one
Molecular Formula	C18H16O5
Molecular Weight	312.3
XLogP	3.3
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	486

SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H16O5/c1-10-4-6-13-12(8-10)16(19)17(20)18(23-13)11-5-7-14(21-2)15(9-11)22-3/h4-9,20H,1-3H3

InChIKey

SMDGCFJQVYCATD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 93097-20-2

CID: 688844

Formula: C18H16O5

MW: 312.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.3
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	312.09977361
Monoisotopic Mass	312.09977361
Topological Polar Surface Area	65 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	486
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM74280-01	3- (4-Methyl benzoyloxy) flavone
FD68015-01	4',6'-Dimethoxy-2'-hydroxy-3-methylacetophenone
FH66536-01	2-Hydroxy-4,6-dimethoxy-3,5-dimethylbenzaldehyde
JGA30803-01	4,6-Dimethoxy-β-methyl-3-phenoxy ambrisentan
LCA54852	Methyl 3-hydroxy-6-methylpicolinate
PBC14461-01	6-Hydroxy-4-methyl-pyridine-3-carbaldehyde
YIB95239-01	2-Methyl-3-hydroxy-6-iodopyridine
FD70399-01	3',4'-Dimethoxy-6'-nitroacetophenone
FD12530-01	3,4-Dimethoxy-6-nitrobenzaldehyde
DXC60772-01	Methyl 2-hydroxy-6-methyl-3-nitropyridine-4-carboxylate

Catalog	Name
TN8626-01	5-hydroxy-6,7-dimethoxy flavone
TBZ2004	4',6,7-Trihydroxy-3',5'-dimethoxy-flavone
427776-01	3',4',7-Tris (benzyloxy) -5-hydroxy-3-methoxy Flavone
GTR19266001-01	5,4'-Dihydroxy-6,8-dimethoxy-7-O-rhamnosyl flavone
TRC-T896780-25MG	3',4',7- Trihydroxy Flavone
D31152-01	3',5'-Dihydroxy-4',6,7-trimethoxy flavone 97%
T124495-01	6'',6''-Dimethylpyrano[2'',3'':7,8]flavone
434034	4',7-Bis (benzyloxy) -5-hydroxy-flavone
B404975	4',7-Bis(benzyloxy)-5-hydroxy-flavone
MBS5788278	3,5,8,3'-Tetramethoxy-6,7,4',5'-bis (methylenedioxy) flavone