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132948-69-7 | Ethanone, 1-[4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]-
CAS No: 132948-69-7 Catalog No: AG0011F3 MDL No:
Product Description
Catalog Number:
AG0011F3
Chemical Name:
Ethanone, 1-[4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]-
CAS Number:
132948-69-7
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
1-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C15H21NO4/c1-12(17)13-2-4-15(5-3-13)20-11-14(18)10-16-6-8-19-9-7-16/h2-5,14,18H,6-11H2,1H3
InChI Key:
SSSRBUFYSWCOQT-UHFFFAOYSA-N
SMILES:
OC(CN1CCOCC1)COc1ccc(cc1)C(=O)C
Properties
Complexity:
296
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 |
| Three-dimensional quantitative structure-activity relationship analysis of propafenone-type multidrug resistance modulators: influence of variable selection on test set predictivity. | Journal of medicinal chemistry 20031106 |
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