4'-Hydroxy-4-methoxychalcone

CAT: 0926-FH67362-03Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FH67362-03Size:0.1 Kg

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CAS Number

6338-81-4

MDL Number

MFCD00020170

Smiles

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

Molecular Formula

C16H14O3

Molecular Weight

254.28 g/mol

Controlled

Chemical Information

4'-Hydroxy-4-methoxychalcone

4'-Hydroxy-4-methoxychalcone has been reported in Cestrum parqui with data available.

CAS Number	6338-81-4
PubChem CID	5355594
IUPAC Name	(E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Molecular Formula	C16H14O3
Molecular Weight	254.28
XLogP	2.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	308

SMILES

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

InChI

InChI=1S/C16H14O3/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11,17H,1H3/b11-4+

InChIKey

RTCVAWRRHHSOCC-NYYWCZLTSA-N

Chemical Structure

2D Structure

CAS: 6338-81-4

CID: 5355594

Formula: C16H14O3

MW: 254.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.28
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	254.094294304
Monoisotopic Mass	254.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	308
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