CAS 14392-69-9 | 1-Nonanone, 1-(4-hydroxyphenyl)- | CAS Number 14392-69-9

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14392-69-9 | 1-Nonanone, 1-(4-hydroxyphenyl)-

CAS No: 14392-69-9 Catalog No: AG001ILZ MDL No:

Product Description

Catalog Number:

AG001ILZ

Chemical Name:

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

CAS Number:

14392-69-9

Molecular Formula:

C15H22O2

Molecular Weight:

234.3340

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.339g/mol

Monoisotopic Mass:

234.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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