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13211-56-8 | isoquinolin-1-yl(4-methoxyphenyl)methanol
CAS No: 13211-56-8 Catalog No: AG00VX9W MDL No:MFCD00034751
Product Description
Catalog Number:
AG00VX9W
Chemical Name:
isoquinolin-1-yl(4-methoxyphenyl)methanol
CAS Number:
13211-56-8
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
MDL Number:
MFCD00034751
IUPAC Name:
isoquinolin-1-yl-(4-methoxyphenyl)methanol
InChI:
InChI=1S/C17H15NO2/c1-20-14-8-6-13(7-9-14)17(19)16-15-5-3-2-4-12(15)10-11-18-16/h2-11,17,19H,1H3
InChI Key:
DGZKFYKSDDZNSG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1nccc2c1cccc2)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Isoquinoline derivatives as potential acetylcholinesterase inhibitors. | Bioorganic & medicinal chemistry letters 20060415 |
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