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Home > Other Building Blocks > 119104-31-3
119104-31-3 | Ethanone, 1-[6-hydroxy-7-methoxy-4-(phenylmethoxy)-5-benzofuranyl]-
CAS No: 119104-31-3 Catalog No: AG000I89 MDL No:
Product Description
Catalog Number:
AG000I89
Chemical Name:
Ethanone, 1-[6-hydroxy-7-methoxy-4-(phenylmethoxy)-5-benzofuranyl]-
CAS Number:
119104-31-3
Molecular Formula:
C18H16O5
Molecular Weight:
312.3166
IUPAC Name:
1-(6-hydroxy-7-methoxy-4-phenylmethoxy-1-benzofuran-5-yl)ethanone
InChI:
InChI=1S/C18H16O5/c1-11(19)14-15(20)18(21-2)17-13(8-9-22-17)16(14)23-10-12-6-4-3-5-7-12/h3-9,20H,10H2,1-2H3
InChI Key:
BICYTSYHSUJOTJ-UHFFFAOYSA-N
SMILES:
COc1c(O)c(C(=O)C)c(c2c1occ2)OCc1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.321g/mol
Monoisotopic Mass:
312.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| A new class of blockers of the voltage-gated potassium channel Kv1.3 via modification of the 4- or 7-position of khellinone. | Journal of medicinal chemistry 20060223 |
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