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52490-15-0 | (2-Butylbenzofuran-3-yl);(4-hydroxyphenyl);methanone
CAS No: 52490-15-0 Catalog No: AG003BMF MDL No:MFCD00040947
Product Description
Catalog Number:
AG003BMF
Chemical Name:
(2-Butylbenzofuran-3-yl);(4-hydroxyphenyl);methanone
CAS Number:
52490-15-0
Molecular Formula:
C19H18O3
Molecular Weight:
294.3444
MDL Number:
MFCD00040947
IUPAC Name:
(2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
InChI:
InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
InChI Key:
ZHGKQUXXASLVQQ-UHFFFAOYSA-N
SMILES:
CCCCc1oc2c(c1C(=O)c1ccc(cc1)O)cccc2
EC Number:
257-959-5
UNII:
7PK1H9HDST
NSC Number:
85438
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.35g/mol
Monoisotopic Mass:
294.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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