7-Methoxyflavanone

CAT: 0926-FM68084-05Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FM68084-05Size:25 g

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CAS Number

21785-09-1

MDL Number

MFCD00017486

Smiles

COC1=CC2=C (C=C1) C (=O) CC (O2) C3=CC=CC=C3

Molecular Formula

C16H14O3

Molecular Weight

254.28 g/mol

Controlled

Chemical Information

7-Methoxyflavanone

CAS Number	21785-09-1
PubChem CID	2825024
IUPAC Name	7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular Formula	C16H14O3
Molecular Weight	254.28
XLogP	2.9
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	322

SMILES

COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC=CC=C3

InChI

InChI=1S/C16H14O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3

InChIKey

VYESEQLQFXUROZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21785-09-1

CID: 2825024

Formula: C16H14O3

MW: 254.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.28
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	254.094294304
Monoisotopic Mass	254.094294304
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	322
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
FH65556-01	7-Hydroxy-5-methoxyflavanone
MEA40871-01	2',5,7-Trihydroxy-8-methoxyflavanone
FM67336-01	4'-Methoxyflavanone
YEA93132-01	5-Methoxyflavanone
FM67595-01	5-Methoxyflavanone
FM67337-01	6-Methoxyflavanone
XH182835-01	4'-Hydroxy-3'-methoxyflavanone
FM68014-01	7-Methoxyflavone
FH66580-01	8-Hydroxy-7-methoxyflavone
FD65958-01	5,6-Dihydroxy-7-methoxyflavone

Catalog	Name
sc-227119	7-Methoxyflavanone
M29273	6,4'-Dihydroxy-7-methoxyflavanone
HY-W752433	7,4'-Dihydroxy-3'-methoxyflavanone
GTR19233761	2,5-Dihydroxy-7-methoxyflavanone
GTR19279153-01	4',7-Dihydroxy-3'-Methoxyflavanone
MBS5786720	2',5,7-Trihydroxy-8-methoxyflavanone
HY-N9246-01	4'-Methoxyflavanone
TN1293	5-Methoxyflavanone
sc-268293	6-Methoxyflavanone
M37756-01	4-Methoxyflavanone