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4-(4-methoxybenzyloxy)-3-methoxyphenol
4-(4-methoxybenzyloxy)-3-methoxyphenol
ID: BP-11618
Supplier:BroadPharm

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SMILES:c1(cc(ccc1OCc1ccc(cc1)OC)O)OC	
FORMULA: C15H16O4
MASS: 260.2851
EXACT MASS: 260.1048590
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6010     0.0000 
   C   3    0.5975     1.0375     0.0000 
   O   4    1.0375     1.5869     0.6010     0.0000 
   C   5    1.0378     1.1985     0.6000     1.0398     0.0000 
   C   6    1.0398     0.6000     1.1985     1.7995     1.0375     0.0000 
   C   7    1.5829     2.0750     1.0375     0.5975     1.1985     2.1600 
   C   8    2.0709     2.6090     1.5829     1.0334     1.7960     2.7435 
   C   9    3.1698     3.7431     2.7474     2.1600     2.9980     3.9308 
   C  10    1.2000     1.0398     1.0378     1.5863     0.5975     0.6010 
   O  11    0.6000     1.0398     1.0378     1.1985     1.5865     1.5878 
   C  12    2.1561     2.7435     1.7960     1.1950     2.1600     2.9945 
   C  13    2.6090     3.1125     2.0750     1.5829     2.1600     3.1698 
   C  14    3.1125     3.6457     2.6131     2.0750     2.7474     3.7431 
   C  15    2.7435     3.3358     2.3970     1.7960     2.7469     3.5955 
   O  16    1.5890     1.0398     1.7995     2.4006     1.5869     0.6010 
   O  17    3.7391     4.3200     3.3358     2.7435     3.5955     4.5235 
   C  18    1.0398     1.2000     1.5863     1.7995     2.0776     1.8000 
   C  19    4.1931     4.7567     3.7431     3.1698     3.9308     4.9057 

              C   7      C   8      C   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5975     0.0000 
   C   9    1.7995     1.2021     0.0000 
   C  10    1.7960     2.3935     3.5955     0.0000 
   O  11    1.7960     2.1561     3.1125     1.8000     0.0000 
   C  12    1.0378     0.6000     1.0416     2.7438     2.0709     0.0000 
   C  13    1.0375     0.6010     1.0398     2.7435     2.7435     1.0398 
   C  14    1.5869     1.0416     0.6000     3.3358     3.1698     1.2021 
   C  15    1.5863     1.0398     0.6010     3.3357     2.6090     0.6010 
   O  16    2.7474     3.3358     4.5273     1.0416     2.0796     3.5955 
   O  17    2.3970     1.7995     0.5975     4.1930     3.6416     1.5869 
   C  18    2.3970     2.7435     3.6457     2.1636     0.6010     2.6090 
   C  19    2.7474     2.1639     1.0375     4.5235     4.1500     2.0791 

              C  13      C  14      C  15      O  16      O  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.6010     0.0000 
   C  15    1.2000     1.0398     0.0000 
   O  16    3.7431     4.3240     4.1965     0.0000 
   O  17    1.5863     1.0378     1.0375     5.1212     0.0000 
   C  18    3.3358     3.7431     3.1125     2.1636     4.1500     0.0000 
   C  19    1.7995     1.1985     1.5869     5.4948     0.6010     4.6804 

              C  19
              -----------
   C  19    0.0000 



ATOMIC CHARGES
   C   1    0.1755943589
   C   2    0.0820199146
   C   3    0.1729118943
   O   4   -0.4675832209
   C   5    0.0433425211
   C   6    0.1989765750
   C   7    0.2321390078
   C   8    0.0213618613
   C   9    0.1387168369
   C  10    0.0453515852
   O  11   -0.4682642264
   C  12    0.0024226464
   C  13    0.0024226464
   C  14    0.0366928510
   C  15    0.0366928510
   O  16   -0.2864600894
   O  17   -0.4714271999
   C  18    0.2526226173
   C  19    0.2524665693


BOND ANGLES
   2    1    3  Car  Car  Car    119.917
   2    1   11  Car  Car   O3    119.944
   3    1   11  Car  Car   O3    120.140
   1    2    6  Car  Car  Car    119.944
   1    3    4  Car  Car   O3    119.917
   1    3    5  Car  Car  Car    120.140
   4    3    5   O3  Car  Car    119.944
   3    4    7  Car   O3   C3    119.917
   3    5   10  Car  Car  Car    120.140
   2    6   10  Car  Car  Car    119.944
   2    6   16  Car  Car   O3    119.944
  10    6   16  Car  Car   O3    120.113
   4    7    8   O3   C3  Car    119.720
   7    8   12   C3  Car  Car    120.140
   7    8   13   C3  Car  Car    119.917
  12    8   13  Car  Car  Car    119.944
  15    9   17  Car  Car   O3    119.917
  14    9   15  Car  Car  Car    119.944
  14    9   17  Car  Car   O3    120.140
   5   10    6  Car  Car  Car    119.917
   1   11   18  Car   O3   C3    119.944
   8   12   15  Car  Car  Car    119.944
   8   13   14  Car  Car  Car    120.113
   9   14   13  Car  Car  Car    119.944
   9   15   12  Car  Car  Car    120.113
   9   17   19  Car   O3   C3    119.917


TORSION ANGLES
   6    2    1    3      0.026
   6    2    1   11    179.974
   4    3    1    2    179.974
   4    3    1   11      0.026
   5    3    1    2      0.026
   5    3    1   11    179.974
   7    4    3    1    179.974
   7    4    3    5      0.026
  10    5    3    1      0.026
  10    5    3    4    179.974
  10    6    2    1      0.026
  16    6    2    1    179.974
   8    7    4    3    179.974
  12    8    7    4      0.026
  13    8    7    4    179.974
  17    9   15   12    179.974
  14    9   15   12      0.026
   5   10    6    2      0.026
   5   10    6   16    179.974
  18   11    1    2      0.026
  18   11    1    3    179.974
  15   12    8    7    179.974
  15   12    8   13      0.026
  14   13    8    7    179.974
  14   13    8   12      0.026
   9   14   13    8      0.026
   9   15   12    8      0.026
  19   17    9   15    179.974
  19   17    9   14      0.026
   3    5   10    6      0.026
  15    9   14   13      0.026
  17    9   14   13    179.974