
 CHEMBL1956259

 57 59  0  0  0  0  0  0  0  0999 V2000
    2.2655   -0.6219    1.3366 C   0  0  0  0  0
    2.6435   -0.2772   -0.1100 C   0  0  0  0  0
    1.6384   -0.8805   -1.0895 C   0  0  0  0  0
    2.9837    1.2140   -0.2243 C   0  0  0  0  0
    2.0702    2.2858   -0.4003 C   0  0  0  0  0
    2.5346    3.6307   -0.2544 C   0  0  0  0  0
    3.9096    3.8652   -0.0345 C   0  0  0  0  0
    4.8506    2.8315    0.0483 C   0  0  0  0  0
    4.3539    1.5237   -0.0326 C   0  0  0  0  0
    6.3592    3.1131    0.1683 C   0  0  0  0  0
    6.6659    4.4387    0.9011 C   0  0  0  0  0
    7.1168    2.0031    0.9352 C   0  0  0  0  0
    6.9370    3.1999   -1.2584 C   0  0  0  0  0
    1.6077    4.7996   -0.2825 C   0  0  0  0  0
    0.5769    4.8348    0.6881 C   0  0  0  0  0
   -0.3971    5.8318    0.7010 C   0  0  0  0  0
   -0.3577    6.8372   -0.2504 C   0  0  0  0  0
    0.6780    6.8617   -1.1841 C   0  0  0  0  0
    1.6923    5.8735   -1.2097 C   0  0  0  0  0
    2.8035    6.0621   -2.1727 C   0  0  0  0  0
    3.5392    7.2647   -2.1589 C   0  0  0  0  0
    4.5964    7.4846   -3.0426 C   0  0  0  0  0
    4.9466    6.4961   -3.9576 C   0  0  0  0  0
    4.2331    5.2976   -3.9898 C   0  0  0  0  0
    3.1668    5.0872   -3.1105 C   0  0  0  0  0
    0.6205    2.0440   -0.7645 C   0  0  0  0  0
   -0.1080    1.5801    0.3609 O   0  0  0  0  0
    3.0622   -0.3306    2.0314 H   0  0  0  0  0
    2.1056   -1.6989    1.4509 H   0  0  0  0  0
    1.3517   -0.1115    1.6537 H   0  0  0  0  0
    3.5715   -0.8275   -0.3230 H   0  0  0  0  0
    0.6019   -0.6689   -0.8115 H   0  0  0  0  0
    1.7304   -1.9738   -1.0911 H   0  0  0  0  0
    1.8171   -0.5348   -2.1121 H   0  0  0  0  0
    4.2351    4.8991    0.0536 H   0  0  0  0  0
    5.0476    0.6907    0.0618 H   0  0  0  0  0
    6.3279    5.3136    0.3357 H   0  0  0  0  0
    7.7455    4.5678    1.0492 H   0  0  0  0  0
    6.1903    4.4650    1.8881 H   0  0  0  0  0
    7.1251    1.0520    0.3907 H   0  0  0  0  0
    6.6713    1.8266    1.9209 H   0  0  0  0  0
    8.1683    2.2743    1.0887 H   0  0  0  0  0
    6.7787    2.2664   -1.8136 H   0  0  0  0  0
    8.0162    3.3928   -1.2391 H   0  0  0  0  0
    6.4665    4.0051   -1.8339 H   0  0  0  0  0
    0.5229    4.0475    1.4413 H   0  0  0  0  0
   -1.1852    5.8118    1.4490 H   0  0  0  0  0
   -1.1182    7.6136   -0.2599 H   0  0  0  0  0
    0.6991    7.6748   -1.9082 H   0  0  0  0  0
    3.2927    8.0447   -1.4398 H   0  0  0  0  0
    5.1445    8.4214   -3.0122 H   0  0  0  0  0
    5.7752    6.6586   -4.6423 H   0  0  0  0  0
    4.5131    4.5228   -4.6988 H   0  0  0  0  0
    2.6277    4.1448   -3.1587 H   0  0  0  0  0
    0.5412    1.3322   -1.5884 H   0  0  0  0  0
    0.1271    2.9401   -1.1509 H   0  0  0  0  0
   -1.0358    1.5198    0.0811 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 49  1  0  0  0
 19 20  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>
CHEMBL1956259

>  <PubChem CID>
57400888

>  <Formula>
C26H30O

>  <Molecular Weight>
358.525000

>  <IUPAC Name>
[4-tert-butyl-2-(2-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=C2C3=CC=CC=C3)CO

>  <Isomeric SMILES>
CC(C)C1=C(C(=CC(=C1)C(C)(C)C)C2=CC=CC=C2C3=CC=CC=C3)CO

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

>  <InChI Key>
KOIVZIUIPZEGRY-UHFFFAOYSA-N

