
 6-Phenyl-1-hexanol

 31 31  0  0  0  0  0  0  0  0999 V2000
   -1.4776   -0.3124    0.1940 C   0  0  0  0  0
   -0.8872   -0.3100   -1.0683 C   0  0  0  0  0
    0.4957   -0.1688   -1.1932 C   0  0  0  0  0
    1.3004   -0.0238   -0.0552 C   0  0  0  0  0
    0.6977   -0.0342    1.2097 C   0  0  0  0  0
   -0.6856   -0.1755    1.3326 C   0  0  0  0  0
    2.7971    0.1065   -0.1882 C   0  0  0  0  0
    3.4855   -1.2600   -0.1673 C   0  0  0  0  0
    5.0016   -1.1218   -0.3135 C   0  0  0  0  0
    5.6868   -2.4891   -0.2966 C   0  0  0  0  0
    7.2005   -2.3563   -0.4496 C   0  0  0  0  0
    7.8869   -3.7159   -0.4367 C   0  0  0  0  0
    9.2914   -3.5475   -0.5714 O   0  0  0  0  0
   -2.5541   -0.4232    0.2907 H   0  0  0  0  0
   -1.5036   -0.4199   -1.9563 H   0  0  0  0  0
    0.9431   -0.1737   -2.1845 H   0  0  0  0  0
    1.3034    0.0666    2.1073 H   0  0  0  0  0
   -1.1449   -0.1806    2.3177 H   0  0  0  0  0
    3.1817    0.7370    0.6237 H   0  0  0  0  0
    3.0347    0.6363   -1.1196 H   0  0  0  0  0
    3.0947   -1.8861   -0.9795 H   0  0  0  0  0
    3.2532   -1.7795    0.7710 H   0  0  0  0  0
    5.3950   -0.5031    0.5022 H   0  0  0  0  0
    5.2346   -0.6056   -1.2529 H   0  0  0  0  0
    5.2896   -3.1089   -1.1095 H   0  0  0  0  0
    5.4568   -3.0036    0.6442 H   0  0  0  0  0
    7.6114   -1.7347    0.3560 H   0  0  0  0  0
    7.4424   -1.8342   -1.3841 H   0  0  0  0  0
    7.5329   -4.3492   -1.2563 H   0  0  0  0  0
    7.6987   -4.2379    0.5063 H   0  0  0  0  0
    9.4536   -3.1107   -1.4249 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  2  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 17  1  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
M  END

>  <Chemical Name>
6-Phenyl-1-hexanol

>  <PubChem CID>
520110

>  <Formula>
C12H18O

>  <Molecular Weight>
178.275000

>  <IUPAC Name>
6-phenylhexan-1-ol

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=CC=C(C=C1)CCCCCCO

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCCCCCO

>  <InChI Std. ID>
InChI=1S/C12H18O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13H,1-2,4,7-8,11H2

>  <InChI Key>
FDXBUMXUJRZANT-UHFFFAOYSA-N

