
 Isoeugenyl benzyl ether

 37 38  0  0  0  0  0  0  0  0999 V2000
   -0.0384   -0.3032    1.5434 C   0  0  0  0  0
    1.4123   -0.1442    1.2211 C   0  0  0  0  0
    2.0470    1.0389    1.2018 C   0  0  0  0  0
    3.4678    1.2103    0.8636 C   0  0  0  0  0
    3.8717    2.3800    0.2022 C   0  0  0  0  0
    5.2151    2.5901   -0.1440 C   0  0  0  0  0
    6.1783    1.6459    0.2328 C   0  0  0  0  0
    5.7804    0.4808    0.8927 C   0  0  0  0  0
    4.4389    0.2682    1.2168 C   0  0  0  0  0
    7.5160    1.6990   -0.0540 O   0  0  0  0  0
    8.1337    2.9709    0.1404 C   0  0  0  0  0
    9.5892    2.7205    0.4604 C   0  0  0  0  0
    9.9696    2.3201    1.7497 C   0  0  0  0  0
   11.3089    2.0612    2.0447 C   0  0  0  0  0
   12.2797    2.1934    1.0533 C   0  0  0  0  0
   11.9120    2.5804   -0.2343 C   0  0  0  0  0
   10.5728    2.8390   -0.5315 C   0  0  0  0  0
    5.6177    3.7196   -0.8076 O   0  0  0  0  0
    4.7957    4.0674   -1.9194 C   0  0  0  0  0
   -0.1560   -0.9284    2.4335 H   0  0  0  0  0
   -0.5520   -0.7915    0.7095 H   0  0  0  0  0
   -0.5295    0.6566    1.7305 H   0  0  0  0  0
    1.9425   -1.0620    0.9773 H   0  0  0  0  0
    1.4974    1.9521    1.4206 H   0  0  0  0  0
    3.1246    3.1288   -0.0432 H   0  0  0  0  0
    6.5255   -0.2630    1.1668 H   0  0  0  0  0
    4.1691   -0.6369    1.7554 H   0  0  0  0  0
    7.6797    3.5339    0.9670 H   0  0  0  0  0
    8.0604    3.5639   -0.7783 H   0  0  0  0  0
    9.2179    2.1990    2.5265 H   0  0  0  0  0
   11.5935    1.7490    3.0461 H   0  0  0  0  0
   13.3220    1.9869    1.2822 H   0  0  0  0  0
   12.6674    2.6733   -1.0098 H   0  0  0  0  0
   10.2987    3.1255   -1.5441 H   0  0  0  0  0
    5.3506    4.7861   -2.5312 H   0  0  0  0  0
    3.8750    4.5586   -1.5886 H   0  0  0  0  0
    4.5710    3.1957   -2.5451 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  2  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
Isoeugenyl benzyl ether

>  <PubChem CID>
764139

>  <Formula>
C17H18O2

>  <Molecular Weight>
254.329000

>  <IUPAC Name>
2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

>  <Isomeric SMILES>
C/C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

>  <InChI Std. ID>
InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+

>  <InChI Key>
YKSSSKBJDZDZTD-XVNBXDOJSA-N

