
 CHEMBL1956417

 57 59  0  0  0  0  0  0  0  0999 V2000
    2.3528   -0.6711    1.4035 C   0  0  0  0  0
    2.6980   -0.2897   -0.0408 C   0  0  0  0  0
    1.7252   -0.9420   -1.0220 C   0  0  0  0  0
    2.9502    1.2197   -0.1468 C   0  0  0  0  0
    1.9754    2.2362   -0.3323 C   0  0  0  0  0
    2.3760    3.6030   -0.2367 C   0  0  0  0  0
    3.7416    3.9128   -0.0389 C   0  0  0  0  0
    4.7338    2.9356    0.0916 C   0  0  0  0  0
    4.3040    1.6035    0.0427 C   0  0  0  0  0
    6.2224    3.3033    0.2270 C   0  0  0  0  0
    6.4417    4.6525    0.9501 C   0  0  0  0  0
    7.0325    2.2489    1.0170 C   0  0  0  0  0
    6.8146    3.4085   -1.1929 C   0  0  0  0  0
    1.4293    4.7399   -0.3397 C   0  0  0  0  0
    0.3276    4.8594    0.5177 C   0  0  0  0  0
   -0.5962    5.9062    0.3744 C   0  0  0  0  0
   -0.4355    6.9086   -0.5980 C   0  0  0  0  0
    0.7087    6.8138   -1.4100 C   0  0  0  0  0
    1.6117    5.7470   -1.2953 C   0  0  0  0  0
   -1.4291    8.0019   -0.7738 C   0  0  0  0  0
   -2.2259    8.4614    0.2921 C   0  0  0  0  0
   -3.1781    9.4731    0.1170 C   0  0  0  0  0
   -3.3484   10.0656   -1.1291 C   0  0  0  0  0
   -2.5713    9.6422   -2.2004 C   0  0  0  0  0
   -1.6314    8.6200   -2.0243 C   0  0  0  0  0
    0.5358    1.9136   -0.6634 C   0  0  0  0  0
   -0.1414    1.4292    0.4851 O   0  0  0  0  0
    3.1348   -0.3396    2.0961 H   0  0  0  0  0
    2.2600   -1.7576    1.5062 H   0  0  0  0  0
    1.4111   -0.2216    1.7312 H   0  0  0  0  0
    3.6557   -0.7821   -0.2663 H   0  0  0  0  0
    0.6809   -0.8008   -0.7314 H   0  0  0  0  0
    1.8873   -2.0263   -1.0417 H   0  0  0  0  0
    1.8733   -0.5701   -2.0406 H   0  0  0  0  0
    4.0151    4.9647    0.0091 H   0  0  0  0  0
    5.0394    0.8096    0.1576 H   0  0  0  0  0
    6.0632    5.5013    0.3703 H   0  0  0  0  0
    7.5090    4.8454    1.1131 H   0  0  0  0  0
    5.9489    4.6624    1.9291 H   0  0  0  0  0
    7.0985    1.2926    0.4867 H   0  0  0  0  0
    6.5878    2.0624    2.0013 H   0  0  0  0  0
    8.0655    2.5811    1.1764 H   0  0  0  0  0
    6.7223    2.4608   -1.7368 H   0  0  0  0  0
    7.8786    3.6700   -1.1610 H   0  0  0  0  0
    6.3022    4.1760   -1.7854 H   0  0  0  0  0
    0.1613    4.1138    1.2945 H   0  0  0  0  0
   -1.4605    5.9044    1.0346 H   0  0  0  0  0
    0.9231    7.5746   -2.1565 H   0  0  0  0  0
    2.4635    5.7098   -1.9723 H   0  0  0  0  0
   -2.1140    8.0430    1.2891 H   0  0  0  0  0
   -3.7849    9.7968    0.9589 H   0  0  0  0  0
   -4.0839   10.8536   -1.2655 H   0  0  0  0  0
   -2.6953   10.1002   -3.1784 H   0  0  0  0  0
   -1.0660    8.3023   -2.8977 H   0  0  0  0  0
    0.4769    1.1877   -1.4760 H   0  0  0  0  0
   -0.0164    2.7743   -1.0494 H   0  0  0  0  0
   -1.0601    1.2684    0.2148 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 20  1  0  0  0
 18 19  2  0  0  0
 18 48  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>
CHEMBL1956417

>  <PubChem CID>
57390395

>  <Formula>
C26H30O

>  <Molecular Weight>
358.525000

>  <IUPAC Name>
[4-tert-butyl-2-(4-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=C(C=C2)C3=CC=CC=C3)CO

>  <Isomeric SMILES>
CC(C)C1=C(C(=CC(=C1)C(C)(C)C)C2=CC=C(C=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)21-13-11-20(12-14-21)19-9-7-6-8-10-19/h6-16,18,27H,17H2,1-5H3

>  <InChI Key>
MAUQDQHFSQYTAL-UHFFFAOYSA-N

