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893737-06-9 | 3-Quinolin-3-ylphenol
CAS No: 893737-06-9 Catalog No: AG01EYNJ MDL No:
Product Description
Catalog Number:
AG01EYNJ
Chemical Name:
3-Quinolin-3-ylphenol
CAS Number:
893737-06-9
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
3-quinolin-3-ylphenol
InChI:
InChI=1S/C15H11NO/c17-14-6-3-5-11(9-14)13-8-12-4-1-2-7-15(12)16-10-13/h1-10,17H
InChI Key:
OZYKJEDEMXCWIR-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1cnc2c(c1)cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases. | Journal of medicinal chemistry 20080410 |
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