Monomers

Phosphonic acid, ethenyl-, diphenyl ester

Identifiers

IUPAC name
[ethenyl(phenoxy)phosphoryl]oxybenzene
InchI
InChI=1S/C14H13O3P/c1-2-18(15,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h2-12H,1H2
InchI Key
VLHORJVZAKSXHV-UHFFFAOYSA-N
SMILES
C=CP(=O)(Oc1ccccc1)Oc1ccccc1
Canonical SMILES
C=CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Isomeric SMILES
C=CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C14H13O3P
Heavy Atom Count
18
Molecular Weight
260.229
Exact Molecular Weight
260.0602
Valence Electrons
92
Radical Electrons
0
tPSA
35.53
MolLogP
4.481
H Bond Acceptors
3
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

 31 32  0  0  0  0  0  0  0  0999 V2000
   -0.2035   -3.4860    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329   -2.3975    0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312   -0.8121    0.2027 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.0144    0.2132    1.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5965   -0.9939   -0.4601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -0.1660   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.9485   -0.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8688    1.8248   -0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7279    1.5665    0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5607    0.4590    1.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079   -0.4276    0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0584   -0.2592   -1.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    0.1976   -0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4319    1.5438   -0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    2.0379    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7611    1.2507    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6200   -0.0987   -0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4018   -0.6099   -0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5284   -4.4833    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129   -3.3887   -0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1456   -2.4871    1.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1597    1.1443   -1.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9827    2.6822   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5537    2.2342    0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2113    0.2430    1.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3488   -1.3077    1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5674    2.1853   -0.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7316    3.0994    0.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7214    1.6445    0.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5125   -0.7029   -0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3019   -1.6544   -0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  3 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 11  6  1  0
 18 13  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 15 28  1  0
 16 29  1  0
 17 30  1  0
 18 31  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers