Chem Cyclohexyl Phenyl Ether

Compound 74
  CheckMol                        TMF02:r0:m0
MF=C12H16O MW=176.26
 13 14  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913   -0.7345   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3149   -0.7345   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794   -2.2271   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5825    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6299    0.0355   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268   -2.2271   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707   -2.9734   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8738   -0.7226   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9448   -0.6989   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417   -2.9616   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8619   -2.2153   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9567   -2.1916   -0.0000 C   0  0  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  1  0  0
  3  7  1  0  1  0  0
  4  8 01  0  1  0  0
  5  9 02  0  1  0  0
  6 10  1  0  1  0  0
  7 11  1  0  1  0  0
  8 12 02  0  1  0  0
 10 13  1  0  1  0  0
  9 12 01  0  1  0  0
 11 13  1  0  1  0  0
M  END

Cyclohexyl Phenyl Ether

₹ 0.00 0.00

Chemical Name - Cyclohexyl Phenyl Ether
Mol Weight - 176.258
Smiles - C(CC1)CCC1Oc1ccccc1

Property Name	Property Value
Mol Name	Cyclohexyl Phenyl Ether
Molweight	176.258
Monoisotopic Mass	176.120115
Clogp	3.1453
Clogs	-3.208
H Acceptors	1
Total Surface Area	151.06
Relative Psa	0.066199
Polar Surface Area	9.23
Druglikeness	-6.0711
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.69231
Molecular Flexibility	0.38641
Molecular Complexity	0.44158
Fragments	1
Non H Atoms	13
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	4
Smiles	C(CC1)CCC1Oc1ccccc1
InChIKey	InChI=1S/C12H16O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChI	OSAOIDIGMBDXED-UHFFFAOYSA-N

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Cyclohexyl Phenyl Ether