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Home Other Building Blocks 1-Nonanone, 1-(4-hydroxyphenyl)-

1-Nonanone, 1-(4-hydroxyphenyl)-

CAS No.:
14392-69-9
Catalog Number:
AG001ILZ
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
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Product Description
Catalog Number:
AG001ILZ
Chemical Name:
1-Nonanone, 1-(4-hydroxyphenyl)-
CAS Number:
14392-69-9
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD00020174
IUPAC Name:
1-(4-hydroxyphenyl)nonan-1-one
InChI:
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12,16H,2-8H2,1H3
InChI Key:
JZBXYOOARNRUME-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)c1ccc(cc1)O
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a range of 4-hydroxyphenyl ketones as potent and specific inhibitors of the type 3 of 17beta-hydroxysteroid dehydrogenase (17beta-HSD3). The Journal of steroid biochemistry and molecular biology 20080701
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