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
    0.1120    4.0884    0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7766    3.2554    0.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3738    2.2104    1.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2214    0.7332    0.9028 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2866   -0.2801    2.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133    1.0245    0.3411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6268   -0.0403   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9026    0.2225   -0.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7517   -0.7968   -0.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2945   -2.1020   -0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0227   -2.4054   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203   -1.3496   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8095    0.2466   -0.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0693   -0.2686   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6402   -0.4477    1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9121   -0.9705    1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6694   -1.3363    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0960   -1.1561   -1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8242   -0.6336   -1.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2007    4.8941   -0.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472    3.9790    0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8350    3.3512    0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2920    1.2437   -0.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7473   -0.5928   -1.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9810   -2.8785   -1.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7121   -3.4376   -0.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2340   -1.5906    0.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0436   -0.1592    1.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3464   -1.1052    2.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6681   -1.7469    0.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7021   -1.4479   -1.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3984   -0.5032   -2.2746 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