Chem 5 Iodo 3 Ethoxy 4 1 Naphthylmethoxybenzyl Alcohol AlkaliMetal

Compound 292
  CheckMol                        TMF02:r0:m0
MF=C20H19IO3 MW=434.27
 24 26  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -0.7337   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2781   -2.2249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5799    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9705   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681   -2.9705   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8699   -0.7101   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3491   -2.2131   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5563   -4.4616   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8581   -2.2131   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1598    0.0592   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628   -2.9586   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2426   -5.2072   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1480    1.5740   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6746   -4.4498   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9764   -2.1894   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2308   -6.6983   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9882   -5.1835   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3846   -5.1954   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2900   -2.9231   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3019   -4.4261   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0001   -6.6747   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3965   -6.6865   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7101   -7.4202   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10 02  0  1  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15 01  0  1  0  0
 12 16 02  0  1  0  0
 13 17  1  0  0  0  0
 15 18 01  0  2  0  0
 15 19 02  0  1  0  0
 16 20 01  0  1  0  0
 18 21 01  0  1  0  0
 18 22 02  0  1  0  0
 19 23 01  0  1  0  0
 22 24 01  0  1  0  0
  7 10 01  0  1  0  0
 20 21 02  0  1  0  0
 23 24 02  0  1  0  0
M  END

5-Iodo-3-Ethoxy-4-(1-Naphthylmethoxy)Benzyl Alcoho

₹ 0.00 0.00

Chemical Name - 5-Iodo-3-Ethoxy-4-(1-Naphthylmethoxy)Benzyl Alcohol
Mol Weight - 434.268
Smiles - CCOc1cc(CO)cc(I)c1OCc1cccc2ccccc12

Property Name	Property Value
Mol Name	5-Iodo-3-Ethoxy-4-(1-Naphthylmethoxy)Benzyl Alcohol
Molweight	434.268
Monoisotopic Mass	434.037893
Clogp	4.3782
Clogs	-5.781
H Acceptors	3
H Donors	1
Total Surface Area	273.79
Relative Psa	0.1209
Polar Surface Area	38.69
Druglikeness	-2.8032
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.54167
Molecular Flexibility	0.4049
Molecular Complexity	0.79328
Fragments	1
Non H Atoms	24
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3 Atoms	7
Smiles	CCOc1cc(CO)cc(I)c1OCc1cccc2ccccc12
InChIKey	InChI=1S/C20H19IO3/c1-2-23-19-11-14(12-22)10-18(21)20(19)24-13-16-8-5-7-15-6-3-4-9-17(15)16/h3-11,22H,2,12-13H2,1H3
InChI	IDTGANHWZMFTMP-UHFFFAOYSA-N

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1 - 5-Iodo-3-Ethoxy-4-(1-Naphthylmethoxy)Benzyl Alcohol
2 - 5-Iodo-3-Ethoxy-4-(1-Naphthylmethoxy)Benzyl Alcohol

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5-Iodo-3-Ethoxy-4-(1-Naphthylmethoxy)Benzyl Alcoho