Chem 3 4 Methoxyphenyl 1 Propanol Gmfine

Compound 15
  CheckMol                        TMF02:r0:m0
MF=C10H14O2 MW=166.22
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3053    0.7526   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4817   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170    2.2578   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6105    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6223    3.0104   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9158    0.7761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9276    2.2695   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2329    3.0221   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5381    2.2930   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8434    3.0456   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1487    2.3166   -0.0000 O   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
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

3-(4-Methoxyphenyl)-1-Propanol

₹ 0.00 0.00

Chemical Name - 3-(4-Methoxyphenyl)-1-Propanol
Mol Weight - 166.219
Smiles - COc1ccc(CCCO)cc1

Property Name	Property Value
Mol Name	3-(4-Methoxyphenyl)-1-Propanol
Molweight	166.219
Monoisotopic Mass	166.09938
Clogp	1.8768
Clogs	-1.9
H Acceptors	2
H Donors	1
Total Surface Area	143.15
Relative Psa	0.16137
Polar Surface Area	29.46
Druglikeness	-7.5408
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.83333
Molecular Flexibility	0.51604
Molecular Complexity	0.54302
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Symmetric Atoms	2
Smiles	COc1ccc(CCCO)cc1
InChIKey	InChI=1S/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3
InChI	NIIDHUCLROLCBU-UHFFFAOYSA-N

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1 - 3-(4-Methoxyphenyl)-1-Propanol
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3-(4-Methoxyphenyl)-1-Propanol