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
    0.6054   -3.4191   -0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3927   -2.1102   -0.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0484   -1.0552    0.7019 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.8768   -1.5923    1.8746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586   -1.0514    1.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5579   -0.2284    0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8284   -0.3813    1.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8979    0.3929    0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7232    1.3694   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608    1.5401   -0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3879    0.7497   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594    0.5074    0.3650 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0068    0.7048    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423    1.9689   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7803    2.1656   -0.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6866    1.1262   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2539   -0.1498   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9187   -0.3579    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8134   -4.0446   -1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636   -3.8245    0.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4300   -1.6729   -1.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0187   -1.1358    1.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9003    0.2838    1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5527    1.9908   -0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3358    2.3068   -1.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045    0.8822   -0.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    2.8242   -0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1023    3.1811   -0.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7111    1.3230   -0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9713   -0.9468   -0.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774   -1.3468    0.2908 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