Chem 4 Methoxybenzyltriphenylphosphoniumchloride Dsrpl

Compound 408
  CheckMol                        TMF02:r0:m0
MF=C26H24ClOP MW=418.90
 29 31  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4326    0.0970   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6929   -1.2005   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.1965    1.4188   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6929    1.4188   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.9605    0.1091   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4568   -2.4980   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1892   -1.1884   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.6266    2.6557   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7244    1.4309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1892    1.4309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.1658    2.9709   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7244   -1.1884   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7171   -3.7955   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4495   -2.4859   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2208    4.0623   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.4884    2.7527   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4495    2.7527   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7171    4.0623   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.9847   -2.4859   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2523   -1.1762   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2135   -3.7834   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7487    4.0744   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2135    4.0744   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.7487   -3.7834   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.0163   -2.4738   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2766   -3.7713   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.0405   -5.0688   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5685   -5.0567   -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 02  0  1  0  0
 13 21 01  0  1  0  0
 14 22 02  0  1  0  0
 16 23 02  0  1  0  0
 18 24 02  0  1  0  0
 20 25 01  0  1  0  0
 21 26 02  0  1  0  0
 25 27 02  0  1  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 15 22 01  0  1  0  0
 17 23 01  0  1  0  0
 19 24 01  0  1  0  0
 26 27 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

(4-methoxybenzyl)triphenylphosphoniumChloride

₹ 0.00 0.00

Chemical Name - (4-methoxybenzyl)triphenylphosphoniumChloride
Mol Weight - 383.45
Smiles - COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]

Property Name	Property Value
Mol Name	(4-methoxybenzyl)triphenylphosphoniumChloride
Molweight	383.45
Monoisotopic Mass	383.156477
Clogp	6.54
Clogs	-7.082
H Acceptors	1
Total Surface Area	302.06
Relative Psa	0.033106
Polar Surface Area	9.23
Druglikeness	-14.154
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.42857
Molecular Flexibility	0.44955
Molecular Complexity	0.70492
Fragments	2
Non H Atoms	28
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3 Atoms	4
Symmetric Atoms	16
Smiles	COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIKey	InChI=1S/C26H24OP.ClH/c1-27-23-19-17-22(18-20-23)21-28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChI	YQXBNCFNXOFWLR-UHFFFAOYSA-M

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1 - (4-methoxybenzyl)triphenylphosphoniumChloride
2 - (4-methoxybenzyl)triphenylphosphoniumChloride

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(4-methoxybenzyl)triphenylphosphoniumChloride