2-Hydroxy-6-Methoxychalcone

CAT: 0127-OR1026477-04Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1026477-04Size:5 g

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CAS Number

42079-68-5

Synonyms

(E) -1- (2-hydroxy-6-methoxyphenyl) -3-phenylprop-2-en-1-one

Purity

98%

Smiles

COC1=CC=CC(=C1C(=O)/C=C/C2=CC=CC=C2)O

Chemical Information

2'-Hydroxy-6'-methoxychalcone

CAS Number	42079-68-5
PubChem CID	5743475
IUPAC Name	(E)-1-(2-hydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
Molecular Formula	C16H14O3
Molecular Weight	254.28
XLogP	3.9
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	318

SMILES

COC1=CC=CC(=C1C(=O)/C=C/C2=CC=CC=C2)O

InChI

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

InChIKey

ZGXVPIGRFJUIEA-ZHACJKMWSA-N

Chemical Structure

2D Structure

CAS: 42079-68-5

CID: 5743475

Formula: C16H14O3

MW: 254.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.28
XLogP3	3.9
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	318
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
BUP12153-01	2'-?Hydroxy-?2-?methoxychalcone
OR14435	4-Hydroxy-4'-methoxychalcone
OR14434-01	4'-Hydroxy-4-methoxychalcone
OR14425	5-Bromo-4'-hydroxy-2-methoxychalcone
PC6536	5'-Fluoro-2'-hydroxy-4-methoxychalcone
OR27788	2-Methoxychalcone
BUP16772	4-METHOXYCHALCONE
BUP14938	4'-Methoxychalcone
OR26424	Trans-2',3-Dihydroxy-4'-methoxychalcone
OR61500-01	6-Hydroxy-2-naphthonitrile