Chem 1 3 Methoxyphenyl 1 Propanol Clarion

Compound 16
  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
   -0.0118   -1.4927   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2913    0.7700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268   -2.2390   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2795   -2.2272   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3387   -3.7317   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2676   -3.7199   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4662   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6537   -4.4662   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655   -5.9589   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9687   -3.7080   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2837   -4.4425   -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
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

1-(3-Methoxyphenyl)-1-Propanol

₹ 0.00 0.00

Chemical Name - 1-(3-Methoxyphenyl)-1-Propanol
Mol Weight - 166.219
Smiles - CCC(c1cccc(OC)c1)O

Property Name	Property Value
Mol Name	1-(3-Methoxyphenyl)-1-Propanol
Molweight	166.219
Monoisotopic Mass	166.09938
Clogp	1.7334
Clogs	-1.859
H Acceptors	2
H Donors	1
Total Surface Area	140.39
Relative Psa	0.16454
Polar Surface Area	29.46
Druglikeness	-2.863
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.48256
Molecular Complexity	0.6452
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	1
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Smiles	CCC(c1cccc(OC)c1)O
InChIKey	InChI=1S/C10H14O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7,10-11H,3H2,1-2H3
InChI	OTBXPRJLIYBQHF-UHFFFAOYSA-N

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1 - 1-(3-Methoxyphenyl)-1-Propanol
2 - 1-(3-Methoxyphenyl)-1-Propanol

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1-(3-Methoxyphenyl)-1-Propanol