Home Other Building Blocks 1-{4-[(2-ethylhexyl)oxy]phenyl}ethan-1-one

1-{4-[(2-ethylhexyl)oxy]phenyl}ethan-1-one

CAS No.:
132944-37-7
Catalog Number:
AG019J5D
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
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Product Description
Catalog Number:
AG019J5D
Chemical Name:
1-{4-[(2-ethylhexyl)oxy]phenyl}ethan-1-one
CAS Number:
132944-37-7
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
MDL Number:
MFCD04622287
IUPAC Name:
1-[4-(2-ethylhexoxy)phenyl]ethanone
InChI:
InChI=1S/C16H24O2/c1-4-6-7-14(5-2)12-18-16-10-8-15(9-11-16)13(3)17/h8-11,14H,4-7,12H2,1-3H3
InChI Key:
YUMOBFWFAISUNO-UHFFFAOYSA-N
SMILES:
CCCCC(COc1ccc(cc1)C(=O)C)CC
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.178g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.366g/mol
Monoisotopic Mass:
248.178g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties