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
   -0.4966   -3.8972    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1119   -3.1591    1.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9555   -1.8014    1.3006 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057   -0.8251    0.3013 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0700   -1.2396   -1.1533 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6183   -0.9310    0.8337 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463   -0.1372    0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9524    1.0445    1.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9901    1.8142    0.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7541    1.4515   -0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4182    0.2507   -1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3846   -0.5318   -0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922    0.7782    0.3986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9277    1.0082    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8350    0.0193   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1737    0.2790   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6478    1.5626   -0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7661    2.5581   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4306    2.3111    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6588   -4.9546    0.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2038   -3.4957   -0.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7902   -3.6448    1.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3835    1.3773    1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2465    2.7565    1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5761    2.0314   -0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0263   -0.0434   -2.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2035   -1.4530   -1.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5117   -0.9883   -0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8515   -0.5424   -0.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7077    1.7304   -0.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1551    3.5686    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7269    3.1030    0.4844 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