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27798-40-9 | Ethanone, 2-(4-phenoxyphenyl)-1-phenyl-
CAS No: 27798-40-9 Catalog No: AG002URY MDL No:MFCD03783544
Product Description
Catalog Number:
AG002URY
Chemical Name:
Ethanone, 2-(4-phenoxyphenyl)-1-phenyl-
CAS Number:
27798-40-9
Molecular Formula:
C20H16O2
Molecular Weight:
288.3398
MDL Number:
MFCD03783544
IUPAC Name:
2-(4-phenoxyphenyl)-1-phenylethanone
InChI:
InChI=1S/C20H16O2/c21-20(17-7-3-1-4-8-17)15-16-11-13-19(14-12-16)22-18-9-5-2-6-10-18/h1-14H,15H2
InChI Key:
UWFIDNYNSUJJED-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Cc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.346g/mol
Monoisotopic Mass:
288.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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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