Chem 13 Bisbenzyloxy Propan 2 Ol Dsrpl

Compound 371
  CheckMol                        TMF02:r0:m0
MF=C17H20O3 MW=272.34
 20 21  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2894    0.7571   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131    0.7571   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6262    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5671   -1.4669   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8683    0.7808   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6380   -1.4669   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9393    0.7808   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8565   -2.2003   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1578    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2524    0.0473   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1459   -1.4432   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5655    0.8044   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8786    0.0710   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1917    0.8399   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8905   -1.4196   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.5048    0.1065   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2036   -2.1530   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.5167   -1.3841   -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  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  9 12  1  0  0  0  0
 10 13 02  0  1  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16 02  0  1  0  0
 15 17 01  0  1  0  0
 16 18 01  0  1  0  0
 17 19 02  0  1  0  0
 18 20 02  0  1  0  0
 11 13 01  0  1  0  0
 19 20 01  0  1  0  0
M  END

1,3-Bisbenzyloxy-propan-2-ol

₹ 0.00 0.00

Chemical Name - 1,3-Bisbenzyloxy-propan-2-ol
Mol Weight - 272.343
Smiles - OC(COCc1ccccc1)COCc1ccccc1

Property Name	Property Value
Mol Name	1,3-Bisbenzyloxy-propan-2-ol
Molweight	272.343
Monoisotopic Mass	272.141245
Clogp	2.2484
Clogs	-2.743
H Acceptors	3
H Donors	1
Total Surface Area	226.91
Relative Psa	0.14587
Polar Surface Area	38.69
Druglikeness	-2.78
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.75
Molecular Flexibility	0.58463
Molecular Complexity	0.50377
Fragments	1
Non H Atoms	20
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	8
Symmetric Atoms	11
Smiles	OC(COCc1ccccc1)COCc1ccccc1
InChIKey	InChI=1S/C17H20O3/c18-17(13-19-11-15-7-3-1-4-8-15)14-20-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChI	ARLSYSVVBAMYKA-UHFFFAOYSA-N

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2 - 1,3-Bisbenzyloxy-propan-2-ol

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1,3-Bisbenzyloxy-propan-2-ol