Compound 78
  CheckMol                        TMF02:r0:m0
MF=C8H10O2 MW=138.17
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2866    0.7554   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3102    0.7554   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5732    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2748    2.2663   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6204    0.0118   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    2.2663   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598    0.7908   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5614    3.0335   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8480    2.3017   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8 01  0  1  0  0
  5  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 10 01  0  1  0  0
M  END

2D Structure

Phenoxyethanol

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Chemical Name - Phenoxyethanol
Mol Weight - 138.165
Smiles - CC(O)Oc1ccccc1

Property Name	Property Value
Mol Name	Phenoxyethanol
Molweight	138.165
Monoisotopic Mass	138.06808
Clogp	1.2882
Clogs	-1.748
H Acceptors	2
H Donors	1
Total Surface Area	114.37
Relative Psa	0.20198
Polar Surface Area	29.46
Druglikeness	-2.3253
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.50125
Molecular Complexity	0.52781
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	1
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	2
Smiles	CC(O)Oc1ccccc1
InChIKey	InChI=1S/C8H10O2/c1-7(9)10-8-5-3-2-4-6-8/h2-7,9H,1H3
InChI	XEFAJZOBODPHBG-UHFFFAOYSA-N

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1 — Phenoxyethanol | 2 — Phenoxyethanol