
 CHEMBL1688486

 51 53  0  0  0  0  0  0  0  0999 V2000
    0.3822   -0.0784    0.8336 C   0  0  0  0  0
    1.8242    0.1970    0.4895 C   0  0  0  0  0
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    5.0172   -1.4654   -0.8664 C   0  0  0  0  0
    2.2028   -2.1925   -0.2335 C   0  0  0  0  0
    2.7110   -3.2592    0.5272 C   0  0  0  0  0
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    2.5210   -5.7207    2.4096 O   0  0  0  0  0
    1.5054   -6.5530    2.7810 C   0  0  0  0  0
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   -2.6698  -12.0042    4.7590 O   0  0  0  0  0
   -0.2226   -0.1141   -0.0778 H   0  0  0  0  0
   -0.0275    0.7077    1.4774 H   0  0  0  0  0
    0.2782   -1.0187    1.3836 H   0  0  0  0  0
    5.5115    1.1214   -0.3386 H   0  0  0  0  0
    3.9793    2.8471    0.5140 H   0  0  0  0  0
    1.6404    2.2886    1.0327 H   0  0  0  0  0
    4.5682   -2.0903   -1.6445 H   0  0  0  0  0
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   -3.3967  -12.4495    5.2438 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 23 24  1  0  0  0
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 24 25  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1688486

>  <PubChem CID>
11674915

>  <Formula>
C24H24O3

>  <Molecular Weight>
360.453000

>  <IUPAC Name>
3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]propanoic acid

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)COC3=CC=C(C=C3)CCC(=O)O

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)COC3=CC=C(C=C3)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C24H24O3/c1-17-5-3-6-18(2)24(17)21-8-4-7-20(15-21)16-27-22-12-9-19(10-13-22)11-14-23(25)26/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,25,26)

>  <InChI Key>
ADLYBSSJKFIGDM-UHFFFAOYSA-N

