Chem Methoxyethyltriphenylphosphonium Bromide AlkaliMetal

Compound 293
  CheckMol                        TMF02:r0:m0
MF=C21H22BrOP MW=401.28
 24 25  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4405    0.0972   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6997   -1.2022   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2055    1.4208   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6997    1.4208   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.9706    0.1093   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4647   -2.5016   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1938   -1.1901   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.6348    2.6595   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7357    1.4330   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1938    1.4330   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.1733    2.9753   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7357   -1.1901   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7240   -3.8010   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4531   -2.4895   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2298    4.0682   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.5007    2.7567   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4531    2.7567   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7240    4.0682   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2658   -1.1780   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2181   -3.7889   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7599    4.0803   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2181    4.0803   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.0309   -2.4774   -0.0000 C   0  0  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
 20 24  1  0  0  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

Methoxyethyltriphenylphosphonium Bromide

₹ 0.00 0.00

Chemical Name - Methoxyethyltriphenylphosphonium Bromide
Mol Weight - 321.379
Smiles - COCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

Property Name	Property Value
Mol Name	Methoxyethyltriphenylphosphonium Bromide
Molweight	321.379
Monoisotopic Mass	321.140827
Clogp	5.124
Clogs	-5.336
H Acceptors	1
Total Surface Area	256.06
Relative Psa	0.039053
Polar Surface Area	9.23
Druglikeness	-14.515
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.3913
Molecular Flexibility	0.49222
Molecular Complexity	0.64441
Fragments	2
Non H Atoms	23
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	5
Symmetric Atoms	14
Smiles	COCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey	InChI=1S/C21H22OP.BrH/c1-22-17-18-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,17-18H2,1H3;1H/q+1;/p-1
InChI	TZSFISGIOFHBOJ-UHFFFAOYSA-M

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1 - Methoxyethyltriphenylphosphonium Bromide
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Methoxyethyltriphenylphosphonium Bromide