
 CHEMBL1956423

 57 59  0  0  0  0  0  0  0  0999 V2000
    3.2725   -0.9191   -1.2995 C   0  0  0  0  0
    2.5484   -0.1778   -0.1696 C   0  0  0  0  0
    2.8093   -0.8559    1.1815 C   0  0  0  0  0
    2.9192    1.3051   -0.1179 C   0  0  0  0  0
    1.9528    2.3410   -0.2323 C   0  0  0  0  0
    2.3508    3.6898   -0.0192 C   0  0  0  0  0
    3.7221    3.9678    0.1914 C   0  0  0  0  0
    4.7102    2.9773    0.2011 C   0  0  0  0  0
    4.2737    1.6506    0.0793 C   0  0  0  0  0
    6.2086    3.2973    0.3314 C   0  0  0  0  0
    6.9538    2.7618   -0.9119 C   0  0  0  0  0
    6.5210    4.8094    0.4258 C   0  0  0  0  0
    6.7833    2.6291    1.5972 C   0  0  0  0  0
    1.4079    4.8371   -0.0025 C   0  0  0  0  0
    0.2763    4.8420    0.8230 C   0  0  0  0  0
   -0.6027    5.9229    0.8255 C   0  0  0  0  0
   -0.3396    7.0423    0.0334 C   0  0  0  0  0
    0.8135    7.1201   -0.7662 C   0  0  0  0  0
    1.6572    5.9897   -0.7785 C   0  0  0  0  0
    1.1506    8.3488   -1.5314 C   0  0  0  0  0
    1.8561    8.2968   -2.7477 C   0  0  0  0  0
    2.2101    9.4597   -3.4410 C   0  0  0  0  0
    1.8500   10.7080   -2.9433 C   0  0  0  0  0
    1.1423   10.7919   -1.7503 C   0  0  0  0  0
    0.8041    9.6272   -1.0522 C   0  0  0  0  0
    0.5234    2.0124   -0.6073 C   0  0  0  0  0
   -0.1784    1.5286    0.5293 O   0  0  0  0  0
    3.0871   -0.4360   -2.2641 H   0  0  0  0  0
    2.9166   -1.9524   -1.3669 H   0  0  0  0  0
    4.3550   -0.9560   -1.1439 H   0  0  0  0  0
    1.4792   -0.2981   -0.3631 H   0  0  0  0  0
    3.8746   -0.8721    1.4357 H   0  0  0  0  0
    2.4570   -1.8927    1.1654 H   0  0  0  0  0
    2.2808   -0.3354    1.9877 H   0  0  0  0  0
    4.0020    5.0063    0.3529 H   0  0  0  0  0
    5.0094    0.8508    0.1390 H   0  0  0  0  0
    6.8835    1.6719   -1.0007 H   0  0  0  0  0
    8.0210    3.0116   -0.8726 H   0  0  0  0  0
    6.5448    3.1933   -1.8331 H   0  0  0  0  0
    6.0635    5.2610    1.3131 H   0  0  0  0  0
    6.1623    5.3503   -0.4573 H   0  0  0  0  0
    7.6004    4.9860    0.4950 H   0  0  0  0  0
    6.2530    2.9661    2.4962 H   0  0  0  0  0
    7.8448    2.8734    1.7246 H   0  0  0  0  0
    6.7084    1.5374    1.5603 H   0  0  0  0  0
    0.0719    3.9948    1.4760 H   0  0  0  0  0
   -1.4880    5.8994    1.4550 H   0  0  0  0  0
   -1.0511    7.8642    0.0587 H   0  0  0  0  0
    2.5597    6.0088   -1.3875 H   0  0  0  0  0
    2.1440    7.3422   -3.1803 H   0  0  0  0  0
    2.7688    9.3870   -4.3726 H   0  0  0  0  0
    2.1231   11.6116   -3.4822 H   0  0  0  0  0
    0.8590   11.7619   -1.3531 H   0  0  0  0  0
    0.2791    9.7392   -0.1063 H   0  0  0  0  0
    0.4963    1.2580   -1.4006 H   0  0  0  0  0
   -0.0094    2.8745   -1.0183 H   0  0  0  0  0
   -1.1027    1.4155    0.2527 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  4  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 36  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 13 45  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 16 17  2  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 22 23  2  0  0  0
 22 51  1  0  0  0
 23 24  1  0  0  0
 23 52  1  0  0  0
 24 25  2  0  0  0
 24 53  1  0  0  0
 25 54  1  0  0  0
 26 27  1  0  0  0
 26 55  1  0  0  0
 26 56  1  0  0  0
 27 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1956423

>  <PubChem CID>
57393989

>  <Formula>
C26H30O

>  <Molecular Weight>
358.525000

>  <IUPAC Name>
[4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C)C1=C(C(=CC(=C1)C(C)(C)C)C2=CC=CC(=C2)C3=CC=CC=C3)CO

>  <Isomeric SMILES>
CC(C)C1=C(C(=CC(=C1)C(C)(C)C)C2=CC=CC(=C2)C3=CC=CC=C3)CO

>  <InChI Std. ID>
InChI=1S/C26H30O/c1-18(2)23-15-22(26(3,4)5)16-24(25(23)17-27)21-13-9-12-20(14-21)19-10-7-6-8-11-19/h6-16,18,27H,17H2,1-5H3

>  <InChI Key>
SBFDLYXSRSOVMF-UHFFFAOYSA-N

