Chem 44 Dimethoxy Benzophenone Bcipl

Compound 74
  CheckMol                        TMF02:r0:m0
MF=C15H14O3 MW=242.27
 18 19  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2956   -0.7370   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2837   -2.2346   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5793    1.5452   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8868   -0.7132   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0357   -2.9716   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5793   -2.9835   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8749    2.3059   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1824    0.0475   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0475   -4.4693   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5674   -4.4811   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1706    1.5571   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2481   -5.2062   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4662    2.3178   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362   -6.7039   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7618    1.5809   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5318   -7.4527   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  4  8 01  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  7 11 01  0  1  0  0
  8 12 02  0  1  0  0
  9 13 02  0  1  0  0
 11 14 02  0  1  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 10 13 01  0  1  0  0
 12 14 01  0  1  0  0
M  END

4,4’-Dimethoxy Benzophenone

₹ 0.00 0.00

Chemical Name - 4,4’-Dimethoxy Benzophenone
Mol Weight - 242.273
Smiles - COc(cc1)ccc1C(c(cc1)ccc1OC)=O
InChI - RFVHVYKVRGKLNK-UHFFFAOYSA-N
InChIKey - InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3

Property Name	Property Value
Mol Name	4,4’-Dimethoxy Benzophenone
Molweight	242.273
Monoisotopic Mass	242.094295
Clogp	2.6496
Clogs	-3.752
H Acceptors	3
Total Surface Area	195.29
Relative Psa	0.16918
Polar Surface Area	35.53
Druglikeness	-0.99272
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.72222
Molecular Flexibility	0.51641
Molecular Complexity	0.56169
Fragments	1
Non H Atoms	18
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	4
Symmetric Atoms	10
Smiles	COc(cc1)ccc1C(c(cc1)ccc1OC)=O
InChIKey	InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
InChI	RFVHVYKVRGKLNK-UHFFFAOYSA-N

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4,4’-Dimethoxy Benzophenone