4'-Methoxyflavone

CAT: 0127-OR1026421-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1026421-02Size:250 mg

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CAS Number

4143-74-2

Synonyms

2- (4-methoxyphenyl) chromen-4-one

Purity

98%

Smiles

COC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

Chemical Information

4'-Methoxyflavone

2-(4-methoxyphenyl)-1-benzopyran-4-one is an ether and a member of flavonoids.

CAS Number	4143-74-2
PubChem CID	77793
IUPAC Name	2-(4-methoxyphenyl)chromen-4-one
Molecular Formula	C16H12O3
Molecular Weight	252.26
XLogP	3.5
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	366

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3

InChIKey

OMICQBVLCVRFGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4143-74-2

CID: 77793

Formula: C16H12O3

MW: 252.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.26
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	252.078644241
Monoisotopic Mass	252.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	19
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	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes