Home Other Building Blocks 4,4-Diphenylbutan-2-one

4,4-Diphenylbutan-2-one

CAS No.:
5409-60-9
Catalog Number:
AG003KGE
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
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Product Description
Catalog Number:
AG003KGE
Chemical Name:
4,4-Diphenylbutan-2-one
CAS Number:
5409-60-9
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
MDL Number:
MFCD00017619
IUPAC Name:
4,4-diphenylbutan-2-one
InChI:
InChI=1S/C16H16O/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChI Key:
FPHXYKLKNOEKTQ-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1ccccc1)c1ccccc1
EC Number:
226-482-4
NSC Number:
12496
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.12g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.303g/mol
Monoisotopic Mass:
224.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
A novel, 'double-clamp' binding mode for human heme oxygenase-1 inhibition. PloS one 20120101
Properties