
 CHEMBL1956424

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.3046   -0.6607    1.1235 C   0  0  0  0  0
    2.7347   -0.1763   -0.2678 C   0  0  0  0  0
    1.8082   -0.7334   -1.3460 C   0  0  0  0  0
    3.0049    1.3329   -0.2313 C   0  0  0  0  0
    2.0387    2.3683   -0.3291 C   0  0  0  0  0
    2.4189    3.7002    0.0121 C   0  0  0  0  0
    3.7708    3.9723    0.3250 C   0  0  0  0  0
    4.7711    2.9962    0.2995 C   0  0  0  0  0
    4.3520    1.6854    0.0438 C   0  0  0  0  0
    6.2553    3.3539    0.4917 C   0  0  0  0  0
    6.4649    4.5940    1.3914 C   0  0  0  0  0
    7.0730    2.2065    1.1274 C   0  0  0  0  0
    6.8447    3.6602   -0.9008 C   0  0  0  0  0
    1.4447    4.8242    0.1352 C   0  0  0  0  0
    0.3933    4.6812    1.0662 C   0  0  0  0  0
   -0.5369    5.6921    1.2787 C   0  0  0  0  0
   -0.4130    6.8945    0.5942 C   0  0  0  0  0
    0.6320    7.0984   -0.3172 C   0  0  0  0  0
    0.7561    8.3424   -0.9588 C   0  0  0  0  0
    1.7856    8.5848   -1.8655 C   0  0  0  0  0
    2.6888    7.5754   -2.1634 C   0  0  0  0  0
    2.5703    6.3291   -1.5424 C   0  0  0  0  0
    1.5645    6.0591   -0.5804 C   0  0  0  0  0
    0.6288    2.1108   -0.8107 C   0  0  0  0  0
   -0.1440    1.4858    0.1998 O   0  0  0  0  0
    3.0493   -0.3926    1.8821 H   0  0  0  0  0
    2.1950   -1.7502    1.1402 H   0  0  0  0  0
    1.3507   -0.2232    1.4327 H   0  0  0  0  0
    3.6980   -0.6644   -0.4761 H   0  0  0  0  0
    0.7515   -0.5836   -1.1112 H   0  0  0  0  0
    1.9466   -1.8184   -1.4300 H   0  0  0  0  0
    2.0265   -0.2970   -2.3251 H   0  0  0  0  0
    4.0270    4.9980    0.5820 H   0  0  0  0  0
    5.0871    0.8837    0.0660 H   0  0  0  0  0
    6.0803    5.5104    0.9307 H   0  0  0  0  0
    7.5306    4.7705    1.5797 H   0  0  0  0  0
    5.9724    4.4677    2.3620 H   0  0  0  0  0
    7.1459    1.3341    0.4690 H   0  0  0  0  0
    6.6296    1.8814    2.0757 H   0  0  0  0  0
    8.1034    2.5215    1.3321 H   0  0  0  0  0
    6.7624    2.7954   -1.5703 H   0  0  0  0  0
    7.9054    3.9273   -0.8334 H   0  0  0  0  0
    6.3221    4.4956   -1.3822 H   0  0  0  0  0
    0.3012    3.7590    1.6402 H   0  0  0  0  0
   -1.3449    5.5468    1.9905 H   0  0  0  0  0
   -1.1387    7.6817    0.7875 H   0  0  0  0  0
    0.0515    9.1436   -0.7452 H   0  0  0  0  0
    1.8761    9.5590   -2.3390 H   0  0  0  0  0
    3.4905    7.7528   -2.8752 H   0  0  0  0  0
    3.2910    5.5623   -1.8166 H   0  0  0  0  0
    0.6386    1.4983   -1.7147 H   0  0  0  0  0
    0.1195    3.0282   -1.1197 H   0  0  0  0  0
   -1.0405    1.3904   -0.1613 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 15  2  0  0  0
 14 23  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 18 19  2  0  0  0
 18 23  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
 21 49  1  0  0  0
 22 23  2  0  0  0
 22 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>
CHEMBL1956424

>  <PubChem CID>
57399211

>  <Formula>
C24H28O

>  <Molecular Weight>
332.487000

>  <IUPAC Name>
(4-tert-butyl-2-naphthalen-1-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=CC=CC3=CC=CC=C32)CO

>  <Isomeric SMILES>
CC(C)C1=C(C(=CC(=C1)C(C)(C)C)C2=CC=CC3=CC=CC=C32)CO

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

>  <InChI Key>
USUANCDGWNOSIV-UHFFFAOYSA-N

