
 CHEMBL3944507

 43 45  0  0  0  0  0  0  0  0999 V2000
    5.1406   -1.0482    6.0785 C   0  0  0  0  0
    3.9480   -1.1728    6.9794 C   0  0  0  0  0
    3.7850   -0.5947    5.6009 C   0  0  0  0  0
    3.1227   -1.4510    4.6453 O   0  0  0  0  0
    3.4711   -1.2545    3.3310 C   0  0  0  0  0
    3.8902   -0.0269    2.8118 C   0  0  0  0  0
    4.2640    0.1230    1.4600 C   0  0  0  0  0
    4.1487   -1.0111    0.6399 C   0  0  0  0  0
    3.6964   -2.2349    1.1399 C   0  0  0  0  0
    3.3586   -2.3564    2.4870 C   0  0  0  0  0
    4.4863   -0.9517   -0.6572 F   0  0  0  0  0
    4.7499    1.4316    0.9718 C   0  0  0  0  0
    5.5951    2.2193    1.7750 C   0  0  0  0  0
    6.0048    3.4981    1.3837 C   0  0  0  0  0
    5.5906    4.0226    0.1637 C   0  0  0  0  0
    4.7916    3.2396   -0.6698 C   0  0  0  0  0
    4.3727    1.9616   -0.2704 C   0  0  0  0  0
    5.8992    5.2679   -0.3142 O   0  0  0  0  0
    6.5696    6.1450    0.5921 C   0  0  0  0  0
    6.7557    7.5069   -0.0657 C   0  0  0  0  0
    5.4263    8.1862   -0.3729 C   0  0  0  0  0
    5.6690    9.5756   -0.8755 C   0  0  0  0  0
    5.7934   10.5767   -0.1911 O   0  0  0  0  0
    5.8056    9.6356   -2.2126 O   0  0  0  0  0
    5.8767   -0.2876    6.3042 H   0  0  0  0  0
    5.5528   -1.9590    5.6617 H   0  0  0  0  0
    3.8754   -0.4932    7.8226 H   0  0  0  0  0
    3.5462   -2.1625    7.1681 H   0  0  0  0  0
    3.5625    0.4674    5.5837 H   0  0  0  0  0
    3.9161    0.8455    3.4572 H   0  0  0  0  0
    3.6195   -3.0876    0.4726 H   0  0  0  0  0
    3.0152   -3.3110    2.8797 H   0  0  0  0  0
    5.9490    1.8435    2.7337 H   0  0  0  0  0
    6.6457    4.0515    2.0621 H   0  0  0  0  0
    4.4761    3.6285   -1.6346 H   0  0  0  0  0
    3.7292    1.3953   -0.9403 H   0  0  0  0  0
    7.5602    5.7409    0.8329 H   0  0  0  0  0
    5.9851    6.2639    1.5125 H   0  0  0  0  0
    7.3208    7.3903   -0.9992 H   0  0  0  0  0
    7.3557    8.1445    0.5962 H   0  0  0  0  0
    4.8018    8.2595    0.5247 H   0  0  0  0  0
    4.8457    7.6275   -1.1153 H   0  0  0  0  0
    5.9889   10.5816   -2.3955 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3944507

>  <PubChem CID>
134145412

>  <Formula>
C19H19FO4

>  <Molecular Weight>
330.355000

>  <IUPAC Name>
4-[4-(5-cyclopropyloxy-2-fluorophenyl)phenoxy]butanoic acid

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC1OC2=CC(=C(C=C2)F)C3=CC=C(C=C3)OCCCC(=O)O

>  <Isomeric SMILES>
C1CC1OC2=CC(=C(C=C2)F)C3=CC=C(C=C3)OCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C19H19FO4/c20-18-10-9-16(24-15-7-8-15)12-17(18)13-3-5-14(6-4-13)23-11-1-2-19(21)22/h3-6,9-10,12,15H,1-2,7-8,11H2,(H,21,22)

>  <InChI Key>
AQNIDUQNJARXRU-UHFFFAOYSA-N

