Compound 25
  CheckMol                        TMF02:r0:m0
MF=C12H18O MW=178.27
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4908   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2778   -2.2361   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3251   -2.2361   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660   -3.7269   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5674   -1.4789   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6384   -1.4789   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -4.4723   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8570   -2.2125   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9517   -2.2243   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8452   -3.7151   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2650   -1.4671   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5782   -2.2125   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11 02  0  1  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 11 01  0  1  0  0
M  END

2D Structure

Phenyl Hexanol

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Chemical Name - Phenyl Hexanol
Mol Weight - 178.274
Smiles - CCCCCC(c1ccccc1)O

Property Name	Property Value
Mol Name	Phenyl Hexanol
Molweight	178.274
Monoisotopic Mass	178.135765
Clogp	3.1666
Clogs	-2.651
H Acceptors	1
H Donors	1
Total Surface Area	159.41
Relative Psa	0.082178
Polar Surface Area	20.23
Druglikeness	-10.417
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.76923
Molecular Flexibility	0.53131
Molecular Complexity	0.52258
Fragments	1
Non H Atoms	13
Non Ch Atoms	1
Electronegative Atoms	1
Stereo Centers	1
Rotatable Bonds	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	2
Smiles	CCCCCC(c1ccccc1)O
InChIKey	InChI=1S/C12H18O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9,12-13H,2-3,5,10H2,1H3
InChI	SVCRDVHXRDRHCP-UHFFFAOYSA-N

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1 — Phenyl Hexanol | 2 — Phenyl Hexanol