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104236-78-4

104236-78-4 | 1-(2,4-Dihydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one

CAS No: 104236-78-4 Catalog No: AG003FSX MDL No:MFCD00076017

Product Description

Catalog Number:
AG003FSX
Chemical Name:
1-(2,4-Dihydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CAS Number:
104236-78-4
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
MDL Number:
MFCD00076017
IUPAC Name:
(E)-1-(2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+
InChI Key:
ODLVGCCGMXGMGZ-RMKNXTFCSA-N
SMILES:
COc1ccccc1/C=C/C(=O)c1ccc(cc1O)O

Properties

Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Literature

Title Journal
7-Hydroxy-benzopyran-4-one derivatives: a novel pharmacophore of peroxisome proliferator-activated receptor alpha and -gamma (PPARalpha and gamma) dual agonists. Journal of medicinal chemistry 20091112

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