
 CHEMBL247131

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.9992   -1.9519    2.7819 C   0  0  0  0  0
    5.6958   -1.2669    1.5658 O   0  0  0  0  0
    5.9340    0.0784    1.6131 C   0  0  0  0  0
    6.3783    0.6723    2.5858 O   0  0  0  0  0
    5.5611    0.7027    0.2714 C   0  0  0  0  0
    5.7578    2.1049    0.1689 O   0  0  0  0  0
    7.0143    2.5979   -0.0661 C   0  0  0  0  0
    7.1135    4.0038   -0.2203 C   0  0  0  0  0
    8.3884    4.5572   -0.4406 C   0  0  0  0  0
    9.5221    3.7515   -0.5195 C   0  0  0  0  0
    9.4161    2.3766   -0.3763 C   0  0  0  0  0
    8.1662    1.8015   -0.1470 C   0  0  0  0  0
   11.0634    4.4670   -0.7931 Cl  0  0  0  0  0
    5.8706    4.8958   -0.1370 C   0  0  0  0  0
    5.8329    5.7708    1.1295 C   0  0  0  0  0
    6.5524    7.1114    1.0036 C   0  0  0  0  0
    6.1155    7.8790   -0.2372 C   0  0  0  0  0
    6.2777    7.0601   -1.5113 C   0  0  0  0  0
    5.5869    5.7008   -1.4212 C   0  0  0  0  0
    5.7620   -3.0102    2.6428 H   0  0  0  0  0
    5.3877   -1.5655    3.6033 H   0  0  0  0  0
    7.0650   -1.8636    3.0156 H   0  0  0  0  0
    4.4838    0.5412    0.1467 H   0  0  0  0  0
    6.0586    0.1718   -0.5485 H   0  0  0  0  0
    8.5180    5.6282   -0.5470 H   0  0  0  0  0
   10.2992    1.7464   -0.4322 H   0  0  0  0  0
    8.1340    0.7239   -0.0238 H   0  0  0  0  0
    5.0057    4.2274   -0.0431 H   0  0  0  0  0
    6.2233    5.2208    1.9949 H   0  0  0  0  0
    4.7796    5.9866    1.3567 H   0  0  0  0  0
    6.3414    7.7163    1.8937 H   0  0  0  0  0
    7.6366    6.9625    0.9899 H   0  0  0  0  0
    5.0646    8.1749   -0.1292 H   0  0  0  0  0
    6.6969    8.8036   -0.3204 H   0  0  0  0  0
    5.8560    7.6199   -2.3552 H   0  0  0  0  0
    7.3396    6.9350   -1.7414 H   0  0  0  0  0
    4.5046    5.8887   -1.4610 H   0  0  0  0  0
    5.8224    5.1059   -2.3125 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 27  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL247131

>  <PubChem CID>
43091550

>  <Formula>
C15H19ClO3

>  <Molecular Weight>
282.764000

>  <IUPAC Name>
methyl 2-(4-chloro-2-cyclohexylphenoxy)acetate

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC(=O)COC1=C(C=C(C=C1)Cl)C2CCCCC2

>  <Isomeric SMILES>
COC(=O)COC1=C(C=C(C=C1)Cl)C2CCCCC2

>  <InChI Std. ID>
InChI=1S/C15H19ClO3/c1-18-15(17)10-19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3

>  <InChI Key>
AZDVRVGZFMVXTH-UHFFFAOYSA-N

