
 Bicyclic analogs VIII

 63 64  0  0  0  0  0  0  0  0999 V2000
    0.8806   -0.2027   -0.0043 C   0  0  0  0  0
    2.3937   -0.0845    0.0817 C   0  0  0  0  0
    2.8461    1.3734    0.0054 C   0  0  0  0  0
    4.3688    1.4863    0.0852 C   0  0  0  0  0
    4.8235    2.9456    0.0266 C   0  0  0  0  0
    6.3472    3.0498    0.0911 C   0  0  0  0  0
    6.8143    4.5081    0.0486 C   0  0  0  0  0
    8.3455    4.5835    0.0807 C   0  0  0  0  0
    8.9640    6.0130    0.0718 C   0  0  0  0  0
    8.4864    6.8041   -1.1692 C   0  0  0  0  0
    8.4897    6.8159    1.3080 C   0  0  0  0  0
   10.4978    5.8217    0.0778 C   0  0  0  0  0
   11.2412    5.7325   -1.1094 C   0  0  0  0  0
   12.6207    5.4817   -1.0836 C   0  0  0  0  0
   13.3224    5.3107    0.1179 C   0  0  0  0  0
   12.5780    5.3900    1.2969 C   0  0  0  0  0
   11.1985    5.6339    1.2791 C   0  0  0  0  0
   14.8129    4.9846    0.1021 C   0  0  0  0  0
   15.6710    5.6396    1.2068 C   0  0  0  0  0
   15.7592    4.8857    2.5354 C   0  0  0  0  0
   15.9624    3.3873    2.3641 C   0  0  0  0  0
   14.9722    2.7772    1.3774 C   0  0  0  0  0
   15.0531    3.4684    0.0184 C   0  0  0  0  0
   15.2636    1.3887    1.2266 O   0  0  0  0  0
   13.3017    5.3798   -2.2689 O   0  0  0  0  0
    0.5785   -1.2530    0.0568 H   0  0  0  0  0
    0.5089    0.2033   -0.9504 H   0  0  0  0  0
    0.3976    0.3382    0.8157 H   0  0  0  0  0
    2.8466   -0.6588   -0.7350 H   0  0  0  0  0
    2.7366   -0.5318    1.0219 H   0  0  0  0  0
    2.3914    1.9426    0.8253 H   0  0  0  0  0
    2.4937    1.8196   -0.9324 H   0  0  0  0  0
    4.8219    0.9263   -0.7419 H   0  0  0  0  0
    4.7233    1.0291    1.0172 H   0  0  0  0  0
    4.3801    3.5030    0.8605 H   0  0  0  0  0
    4.4626    3.4072   -0.9004 H   0  0  0  0  0
    6.7869    2.4985   -0.7492 H   0  0  0  0  0
    6.7089    2.5765    1.0121 H   0  0  0  0  0
    6.3886    5.0447    0.9032 H   0  0  0  0  0
    6.4319    4.9802   -0.8627 H   0  0  0  0  0
    8.7334    4.0193   -0.7794 H   0  0  0  0  0
    8.6972    4.0448    0.9723 H   0  0  0  0  0
    8.5969    6.2257   -2.0926 H   0  0  0  0  0
    9.0487    7.7383   -1.2837 H   0  0  0  0  0
    7.4270    7.0738   -1.0934 H   0  0  0  0  0
    8.5931    6.2442    2.2363 H   0  0  0  0  0
    7.4324    7.0930    1.2295 H   0  0  0  0  0
    9.0603    7.7457    1.4183 H   0  0  0  0  0
   10.7474    5.8315   -2.0703 H   0  0  0  0  0
   13.0354    5.2371    2.2659 H   0  0  0  0  0
   10.6833    5.6445    2.2360 H   0  0  0  0  0
   15.2054    5.4179   -0.8285 H   0  0  0  0  0
   15.3472    6.6722    1.3876 H   0  0  0  0  0
   16.6971    5.7107    0.8187 H   0  0  0  0  0
   16.5893    5.2963    3.1237 H   0  0  0  0  0
   14.8652    5.0620    3.1390 H   0  0  0  0  0
   16.9889    3.1917    2.0262 H   0  0  0  0  0
   15.8741    2.8857    3.3347 H   0  0  0  0  0
   13.9561    2.8439    1.7782 H   0  0  0  0  0
   16.0524    3.2927   -0.4038 H   0  0  0  0  0
   14.3596    2.9885   -0.6839 H   0  0  0  0  0
   16.1510    1.3091    0.8367 H   0  0  0  0  0
   12.6806    5.5201   -3.0000 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  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 46  1  0  0  0
 11 47  1  0  0  0
 11 48  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 49  1  0  0  0
 14 15  2  0  0  0
 14 25  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 50  1  0  0  0
 17 51  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
 19 20  1  0  0  0
 19 53  1  0  0  0
 19 54  1  0  0  0
 20 21  1  0  0  0
 20 55  1  0  0  0
 20 56  1  0  0  0
 21 22  1  0  0  0
 21 57  1  0  0  0
 21 58  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 22 59  1  0  0  0
 23 60  1  0  0  0
 23 61  1  0  0  0
 24 62  1  0  0  0
 25 63  1  0  0  0
M  END

>  <Chemical Name>
Bicyclic analogs VIII

>  <PubChem CID>
23902365

>  <Formula>
C23H38O2

>  <Molecular Weight>
346.555000

>  <IUPAC Name>
2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methyldecan-2-yl)phenol

>  <XlogP>
8.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)O

>  <Isomeric SMILES>
CCCCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2CCC[C@H](C2)O)O

>  <InChI Std. ID>
InChI=1S/C23H38O2/c1-4-5-6-7-8-9-15-23(2,3)19-13-14-21(22(25)17-19)18-11-10-12-20(24)16-18/h13-14,17-18,20,24-25H,4-12,15-16H2,1-3H3/t18-,20+/m0/s1

>  <InChI Key>
BIGNODGYJZJTBM-AZUAARDMSA-N

