
 CHEMBL1688472

 54 56  0  0  0  0  0  0  0  0999 V2000
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    5.6252    1.1679   -0.6029 H   0  0  0  0  0
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    1.6918    2.4709    0.4247 H   0  0  0  0  0
    4.7346   -2.1553   -1.6385 H   0  0  0  0  0
    5.4659   -2.0049   -0.0114 H   0  0  0  0  0
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  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 32  1  0  0  0
  6  7  2  0  0  0
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  7 34  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1688472

>  <PubChem CID>
51350137

>  <Formula>
C25H26O3

>  <Molecular Weight>
374.480000

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

>  <XlogP>
5.8

>  <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)C(C)CC(=O)O

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

>  <InChI Std. ID>
InChI=1S/C25H26O3/c1-17-6-4-7-18(2)25(17)22-9-5-8-20(15-22)16-28-23-12-10-21(11-13-23)19(3)14-24(26)27/h4-13,15,19H,14,16H2,1-3H3,(H,26,27)

>  <InChI Key>
BBONBXQNPVADJZ-UHFFFAOYSA-N

