Monomers

Diphenyl vinyl phosphate

Identifiers

IUPAC name
ethenyl diphenyl phosphate
InchI
InChI=1S/C14H13O4P/c1-2-16-19(15,17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h2-12H,1H2
InchI Key
RJYNTEFVOZNXEM-UHFFFAOYSA-N
SMILES
C=COP(=O)(Oc1ccccc1)Oc1ccccc1
Canonical SMILES
C=COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Isomeric SMILES
C=COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C14H13O4P
Heavy Atom Count
19
Molecular Weight
276.228
Exact Molecular Weight
276.0551
Valence Electrons
98
Radical Electrons
0
tPSA
44.76
MolLogP
4.4126
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 32 33  0  0  0  0  0  0  0  0999 V2000
   -0.0452    4.7265    1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1312    3.9852    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    2.7993   -0.0791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781    1.4604   -0.8337 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9510    2.0348   -2.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9527    0.3555   -1.4583 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -0.3125   -0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.2626   -0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0855   -0.3674    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8603   -1.5944    0.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6112   -2.1419    0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6253   -1.5342   -0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2152    0.7660    0.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9657   -0.3741    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7678   -0.8323    1.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5335   -1.9804    0.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5006   -2.6623   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986   -2.2053   -1.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9501   -1.0696   -1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6222    5.6336    1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5926    4.4348    1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7774    4.3083   -0.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3604    1.2356   -0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0609    0.0860    0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6144   -2.1112    1.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3999   -3.1167    1.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6711   -2.0381   -0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8534   -0.3607    2.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1648   -2.3488    1.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0990   -3.5589   -0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691   -2.7464   -2.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3298   -0.7335   -1.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 12  7  1  0
 19 14  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 15 28  1  0
 16 29  1  0
 17 30  1  0
 18 31  1  0
 19 32  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers