Chem Methoxymethyl Triphenylphosphonium Chloride Gmfine

Compound 22
  CheckMol                        TMF02:r0:m0
MF=C20H20ClOP MW=342.80
 23 24  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4465    0.0956   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7060    1.4213   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2109   -1.2064   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.9754    0.1075   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6940   -1.2064   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2010    1.4333   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4823    2.7471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.5726   -1.3019   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4704   -2.5083   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7398    1.4333   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.0981   -1.0511   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1891   -1.1944   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4485    2.7591   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7299    4.0729   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.5042   -2.4963   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2468   -3.8102   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2686    1.4452   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2806   -1.1825   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4366   -2.4963   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2249    4.0849   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7517   -3.7982   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.0330    0.1433   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7 02  0  1  0  0
  3  8 01  0  1  0  0
  4  9 02  0  1  0  0
  4 10 01  0  1  0  0
  5 11 02  0  1  0  0
  5 12 01  0  1  0  0
  6 13  1  0  0  0  0
  7 14 01  0  1  0  0
  8 15 02  0  1  0  0
  9 16 01  0  1  0  0
 10 17 02  0  1  0  0
 11 18 01  0  1  0  0
 12 19 02  0  1  0  0
 13 20  1  0  0  0  0
 14 21 02  0  1  0  0
 16 22 02  0  1  0  0
 18 23 02  0  1  0  0
 15 21 01  0  1  0  0
 17 22 01  0  1  0  0
 19 23 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

Methoxymethyl triphenylphosphonium Chloride

₹ 0.00 0.00

Chemical Name - Methoxymethyl triphenylphosphonium Chloride
Mol Weight - 307.352
Smiles - COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]

Property Name	Property Value
Mol Name	Methoxymethyl triphenylphosphonium Chloride
Molweight	307.352
Monoisotopic Mass	307.125177
Clogp	4.9581
Clogs	-5.904
H Acceptors	1
Total Surface Area	242.3
Relative Psa	0.041271
Polar Surface Area	9.23
Druglikeness	-10.475
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.40909
Molecular Flexibility	0.48553
Molecular Complexity	0.62953
Fragments	2
Non H Atoms	22
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	4
Symmetric Atoms	14
Smiles	COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey	InChI=1S/C20H20OP.ClH/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1
InChI	SJFNDMHZXCUXSA-UHFFFAOYSA-M

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Methoxymethyl triphenylphosphonium Chloride