
 CHEMBL1956425

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.7804   -0.7541   -1.7211 C   0  0  0  0  0
    1.9503   -0.0873   -0.6203 C   0  0  0  0  0
    1.9778   -0.9216    0.6678 C   0  0  0  0  0
    2.3982    1.3539   -0.3568 C   0  0  0  0  0
    1.5542    2.4807   -0.5778 C   0  0  0  0  0
    1.9859    3.7763   -0.1717 C   0  0  0  0  0
    3.3047    3.8979    0.3385 C   0  0  0  0  0
    4.2023    2.8245    0.4517 C   0  0  0  0  0
    3.7088    1.5594    0.1214 C   0  0  0  0  0
    5.6807    3.0375    0.8292 C   0  0  0  0  0
    5.9000    4.2534    1.7568 C   0  0  0  0  0
    6.2997    1.8152    1.5474 C   0  0  0  0  0
    6.4637    3.2783   -0.4800 C   0  0  0  0  0
    1.1613    5.0219   -0.2730 C   0  0  0  0  0
   -0.2069    5.0597    0.0540 C   0  0  0  0  0
   -0.9910    6.2226   -0.0939 C   0  0  0  0  0
   -2.3799    6.2074    0.1236 C   0  0  0  0  0
   -3.1427    7.3670   -0.0343 C   0  0  0  0  0
   -2.5241    8.5627   -0.3869 C   0  0  0  0  0
   -1.1469    8.5942   -0.6075 C   0  0  0  0  0
   -0.3738    7.4272   -0.4855 C   0  0  0  0  0
    0.9969    7.4243   -0.7596 C   0  0  0  0  0
    1.7392    6.2385   -0.6826 C   0  0  0  0  0
    0.2244    2.2755   -1.2774 C   0  0  0  0  0
   -0.7598    1.7725   -0.3797 O   0  0  0  0  0
    2.7505   -0.1641   -2.6434 H   0  0  0  0  0
    2.3857   -1.7509   -1.9466 H   0  0  0  0  0
    3.8300   -0.8744   -1.4330 H   0  0  0  0  0
    0.9115   -0.1098   -0.9590 H   0  0  0  0  0
    2.9897   -1.0295    1.0725 H   0  0  0  0  0
    1.5885   -1.9286    0.4824 H   0  0  0  0  0
    1.3554   -0.4601    1.4430 H   0  0  0  0  0
    3.6412    4.8879    0.6372 H   0  0  0  0  0
    4.3589    0.6931    0.2127 H   0  0  0  0  0
    5.6686    5.2016    1.2595 H   0  0  0  0  0
    6.9470    4.3236    2.0756 H   0  0  0  0  0
    5.2812    4.1806    2.6582 H   0  0  0  0  0
    6.3725    0.9405    0.8918 H   0  0  0  0  0
    5.7150    1.5358    2.4289 H   0  0  0  0  0
    7.3241    2.0308    1.8789 H   0  0  0  0  0
    6.3779    2.4240   -1.1626 H   0  0  0  0  0
    7.5299    3.4379   -0.2823 H   0  0  0  0  0
    6.0900    4.1602   -1.0143 H   0  0  0  0  0
   -0.6969    4.1606    0.4201 H   0  0  0  0  0
   -2.8818    5.2816    0.3949 H   0  0  0  0  0
   -4.2184    7.3333    0.1156 H   0  0  0  0  0
   -3.1147    9.4676   -0.5015 H   0  0  0  0  0
   -0.6809    9.5354   -0.8900 H   0  0  0  0  0
    1.5002    8.3397   -1.0614 H   0  0  0  0  0
    2.7923    6.2859   -0.9529 H   0  0  0  0  0
    0.3340    1.5717   -2.1100 H   0  0  0  0  0
   -0.1532    3.1864   -1.7483 H   0  0  0  0  0
   -0.3254    1.6263    0.4781 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 34  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 23  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 49  1  0  0  0
 23 50  1  0  0  0
 24 25  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 25 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1956425

>  <PubChem CID>
57395755

>  <Formula>
C24H28O

>  <Molecular Weight>
332.487000

>  <IUPAC Name>
(4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C)C1=C(C(=CC(=C1)C(C)(C)C)C2=CC3=CC=CC=C3C=C2)CO

>  <Isomeric SMILES>
CC(C)C1=C(C(=CC(=C1)C(C)(C)C)C2=CC3=CC=CC=C3C=C2)CO

>  <InChI Std. ID>
InChI=1S/C24H28O/c1-16(2)21-13-20(24(3,4)5)14-22(23(21)15-25)19-11-10-17-8-6-7-9-18(17)12-19/h6-14,16,25H,15H2,1-5H3

>  <InChI Key>
NCTONOXJZGFRGY-UHFFFAOYSA-N

