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132948-75-5 | Ethanone, 1-[2-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]-
CAS No: 132948-75-5 Catalog No: AG0011F2 MDL No:
Product Description
Catalog Number:
AG0011F2
Chemical Name:
Ethanone, 1-[2-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]-
CAS Number:
132948-75-5
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C15H21NO4/c1-12(17)14-4-2-3-5-15(14)20-11-13(18)10-16-6-8-19-9-7-16/h2-5,13,18H,6-11H2,1H3
InChI Key:
QGRBFZOIRDCXLZ-UHFFFAOYSA-N
SMILES:
OC(CN1CCOCC1)COc1ccccc1C(=O)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Self-organizing maps for identification of new inhibitors of P-glycoprotein. | Journal of medicinal chemistry 20070405 |
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