
 CHEMBL1956416

 47 48  0  0  0  0  0  0  0  0999 V2000
    2.6202   -0.6939   -1.5908 C   0  0  0  0  0
    2.5138   -0.1334   -0.1705 C   0  0  0  0  0
    3.3031   -1.0199    0.8052 C   0  0  0  0  0
    2.9201    1.3419   -0.1395 C   0  0  0  0  0
    1.9642    2.3861   -0.2698 C   0  0  0  0  0
    2.3935    3.7347   -0.1691 C   0  0  0  0  0
    3.7689    4.0073    0.0032 C   0  0  0  0  0
    4.7406    3.0010    0.0863 C   0  0  0  0  0
    4.2855    1.6777   -0.0046 C   0  0  0  0  0
    6.2390    3.3325    0.2146 C   0  0  0  0  0
    6.4964    4.6684    0.9510 C   0  0  0  0  0
    7.0224    2.2502    0.9942 C   0  0  0  0  0
    6.8272    3.4371   -1.2060 C   0  0  0  0  0
    1.4714    4.8880   -0.2362 C   0  0  0  0  0
    0.4725    5.0761    0.7355 C   0  0  0  0  0
   -0.3857    6.1769    0.6778 C   0  0  0  0  0
   -0.2397    7.1059   -0.3446 C   0  0  0  0  0
    0.7446    6.9537   -1.3118 C   0  0  0  0  0
    1.5956    5.8475   -1.2590 C   0  0  0  0  0
   -1.0583    8.1648   -0.3968 F   0  0  0  0  0
    0.5065    2.0692   -0.5301 C   0  0  0  0  0
   -0.1448    1.7570    0.6935 O   0  0  0  0  0
    2.0031   -0.1243   -2.2932 H   0  0  0  0  0
    2.2821   -1.7355   -1.6209 H   0  0  0  0  0
    3.6516   -0.6634   -1.9583 H   0  0  0  0  0
    1.4717   -0.2198    0.1553 H   0  0  0  0  0
    4.3390   -1.1706    0.4839 H   0  0  0  0  0
    2.8428   -2.0116    0.8735 H   0  0  0  0  0
    3.3163   -0.5872    1.8112 H   0  0  0  0  0
    4.0672    5.0515    0.0668 H   0  0  0  0  0
    5.0114    0.8703    0.0207 H   0  0  0  0  0
    6.1357    5.5325    0.3825 H   0  0  0  0  0
    7.5690    4.8328    1.1096 H   0  0  0  0  0
    6.0102    4.6803    1.9334 H   0  0  0  0  0
    7.0632    1.2968    0.4565 H   0  0  0  0  0
    6.5736    2.0666    1.9774 H   0  0  0  0  0
    8.0636    2.5545    1.1558 H   0  0  0  0  0
    6.7090    2.4978   -1.7591 H   0  0  0  0  0
    7.8972    3.6719   -1.1759 H   0  0  0  0  0
    6.3311    4.2232   -1.7876 H   0  0  0  0  0
    0.3618    4.3573    1.5462 H   0  0  0  0  0
   -1.1597    6.3150    1.4261 H   0  0  0  0  0
    0.8468    7.6949   -2.0973 H   0  0  0  0  0
    2.3646    5.7346   -2.0213 H   0  0  0  0  0
    0.4046    1.2229   -1.2164 H   0  0  0  0  0
   -0.0196    2.8980   -1.0133 H   0  0  0  0  0
   -1.0675    1.5533    0.4686 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 31  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1956416

>  <PubChem CID>
15015051

>  <Formula>
C20H25FO

>  <Molecular Weight>
300.417000

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

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C20H25FO/c1-13(2)17-10-15(20(3,4)5)11-18(19(17)12-22)14-6-8-16(21)9-7-14/h6-11,13,22H,12H2,1-5H3

>  <InChI Key>
CRTLFEMUURZLGO-UHFFFAOYSA-N

