
 CHEMBL1682820

 33 35  0  0  0  0  0  0  0  0999 V2000
   -3.3581    0.4916    0.1710 C   0  0  0  0  0
   -2.9425   -0.7599    0.9153 C   0  0  0  0  0
   -1.7965   -1.3736    0.3169 O   0  0  0  0  0
   -0.7323   -0.5163    0.2107 C   0  0  0  0  0
   -0.8594    0.8729    0.1798 C   0  0  0  0  0
   -2.2124    1.4639    0.2085 C   0  0  0  0  0
   -2.3773    2.6789    0.1981 O   0  0  0  0  0
    0.2710    1.6855    0.0726 C   0  0  0  0  0
    1.5347    1.0989   -0.0230 C   0  0  0  0  0
    1.6757   -0.2986   -0.0204 C   0  0  0  0  0
    0.5293   -1.1002    0.0957 C   0  0  0  0  0
    3.0446   -0.9276   -0.1410 C   0  0  0  0  0
    3.6087   -0.5406   -1.3920 O   0  0  0  0  0
    4.8450   -1.0384   -1.6982 C   0  0  0  0  0
    5.6074   -1.8966   -0.9043 C   0  0  0  0  0
    6.8595   -2.3355   -1.3472 C   0  0  0  0  0
    7.3552   -1.9173   -2.5811 C   0  0  0  0  0
    6.5998   -1.0588   -3.3755 C   0  0  0  0  0
    5.3496   -0.6229   -2.9336 C   0  0  0  0  0
   -4.2317    0.9421    0.6518 H   0  0  0  0  0
   -3.5873    0.2774   -0.8783 H   0  0  0  0  0
   -3.7556   -1.4928    0.8851 H   0  0  0  0  0
   -2.7299   -0.5549    1.9729 H   0  0  0  0  0
    0.1710    2.7683    0.0427 H   0  0  0  0  0
    2.4128    1.7352   -0.1233 H   0  0  0  0  0
    0.6122   -2.1848    0.0962 H   0  0  0  0  0
    2.9547   -2.0195   -0.0894 H   0  0  0  0  0
    3.6662   -0.5734    0.6909 H   0  0  0  0  0
    5.2612   -2.2467    0.0620 H   0  0  0  0  0
    7.4489   -3.0065   -0.7271 H   0  0  0  0  0
    8.3284   -2.2605   -2.9225 H   0  0  0  0  0
    6.9803   -0.7288   -4.3383 H   0  0  0  0  0
    4.7616    0.0456   -3.5578 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  4 11  1  0  0  0
  4  5  2  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  8  9  2  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 17  2  0  0  0
 16 30  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1682820

>  <PubChem CID>
15420544

>  <Formula>
C16H14O3

>  <Molecular Weight>
254.285000

>  <IUPAC Name>
7-(phenoxymethyl)-2,3-dihydrochromen-4-one

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1COC2=C(C1=O)C=CC(=C2)COC3=CC=CC=C3

>  <Isomeric SMILES>
C1COC2=C(C1=O)C=CC(=C2)COC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C16H14O3/c17-15-8-9-18-16-10-12(6-7-14(15)16)11-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2

>  <InChI Key>
LOURISIOISPYCO-UHFFFAOYSA-N

