
 CHEMBL1956426

 47 48  0  0  0  0  0  0  0  0999 V2000
    3.6476   -1.1359   -0.6864 C   0  0  0  0  0
    2.5660   -0.1855   -0.1459 C   0  0  0  0  0
    2.1557   -0.6310    1.2610 C   0  0  0  0  0
    2.9534    1.2973   -0.1536 C   0  0  0  0  0
    1.9908    2.3314   -0.3275 C   0  0  0  0  0
    2.4000    3.6872   -0.2072 C   0  0  0  0  0
    3.7681    3.9786   -0.0180 C   0  0  0  0  0
    4.7512    2.9861    0.0667 C   0  0  0  0  0
    4.3045    1.6564    0.0563 C   0  0  0  0  0
    6.2435    3.3368    0.2112 C   0  0  0  0  0
    6.5894    3.4211    1.7084 C   0  0  0  0  0
    7.1583    2.2791   -0.4526 C   0  0  0  0  0
    6.5990    4.6884   -0.4546 C   0  0  0  0  0
    1.4615    4.8289   -0.2678 C   0  0  0  0  0
    0.4439    4.9843    0.6869 C   0  0  0  0  0
   -0.4285    6.0711    0.6255 C   0  0  0  0  0
   -0.2913    7.0337   -0.3725 C   0  0  0  0  0
    0.7233    6.9053   -1.3186 C   0  0  0  0  0
    1.5890    5.8099   -1.2684 C   0  0  0  0  0
   -1.6890    6.2245    1.7873 Cl  0  0  0  0  0
    0.5422    2.0150   -0.6409 C   0  0  0  0  0
   -0.1695    1.7490    0.5573 O   0  0  0  0  0
    4.0286   -0.7951   -1.6549 H   0  0  0  0  0
    3.2342   -2.1414   -0.8244 H   0  0  0  0  0
    4.4941   -1.2334    0.0020 H   0  0  0  0  0
    1.7127   -0.3339   -0.8135 H   0  0  0  0  0
    2.9914   -0.5542    1.9651 H   0  0  0  0  0
    1.8173   -1.6731    1.2514 H   0  0  0  0  0
    1.3367   -0.0237    1.6563 H   0  0  0  0  0
    4.0503    5.0254    0.0755 H   0  0  0  0  0
    5.0309    0.8665    0.2213 H   0  0  0  0  0
    5.9945    4.1911    2.2136 H   0  0  0  0  0
    7.6470    3.6690    1.8560 H   0  0  0  0  0
    6.3971    2.4703    2.2189 H   0  0  0  0  0
    6.8765    2.1122   -1.4990 H   0  0  0  0  0
    7.1239    1.3146    0.0650 H   0  0  0  0  0
    8.2075    2.5976   -0.4387 H   0  0  0  0  0
    6.2784    4.7112   -1.5029 H   0  0  0  0  0
    7.6808    4.8679   -0.4356 H   0  0  0  0  0
    6.1382    5.5389    0.0593 H   0  0  0  0  0
    0.3325    4.2480    1.4820 H   0  0  0  0  0
   -0.9671    7.8833   -0.4160 H   0  0  0  0  0
    0.8424    7.6561   -2.0957 H   0  0  0  0  0
    2.3745    5.7227   -2.0171 H   0  0  0  0  0
    0.4500    1.1591   -1.3143 H   0  0  0  0  0
    0.0529    2.8395   -1.1694 H   0  0  0  0  0
   -1.1064    1.6721    0.3127 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 20  1  0  0  0
 17 18  1  0  0  0
 17 42  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>
CHEMBL1956426

>  <PubChem CID>
57395756

>  <Formula>
C20H25ClO

>  <Molecular Weight>
316.869000

>  <IUPAC Name>
[4-tert-butyl-2-(3-chlorophenyl)-6-propan-2-ylphenyl]methanol

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C20H25ClO/c1-13(2)17-10-15(20(3,4)5)11-18(19(17)12-22)14-7-6-8-16(21)9-14/h6-11,13,22H,12H2,1-5H3

>  <InChI Key>
ZXUVPNIMXJHQNA-UHFFFAOYSA-N

