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Home Other Building Blocks 1-(4-HYDROXYPHENYL)DODECAN-1-ONE

1-(4-HYDROXYPHENYL)DODECAN-1-ONE

CAS No.:
2589-74-4
Catalog Number:
AG00BD8D
Molecular Formula:
C18H28O2
Molecular Weight:
276.4137
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Product Description
Catalog Number:
AG00BD8D
Chemical Name:
1-(4-HYDROXYPHENYL)DODECAN-1-ONE
CAS Number:
2589-74-4
Molecular Formula:
C18H28O2
Molecular Weight:
276.4137
MDL Number:
MFCD00020172
IUPAC Name:
1-(4-hydroxyphenyl)dodecan-1-one
InChI:
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-18(20)16-12-14-17(19)15-13-16/h12-15,19H,2-11H2,1H3
InChI Key:
LQWPEACAJAMZQF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)c1ccc(cc1)O
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.209g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.42g/mol
Monoisotopic Mass:
276.209g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4  
Literature
Title Journal
Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a series of 4-hydroxyphenyl ketones as potential inhibitors of 17beta-hydroxysteroid dehydrogenase type 3 (17beta-HSD3). Bioorganic & medicinal chemistry letters 20060901
Properties