Monomers

p-Phenoxystyrene

Identifiers

IUPAC name
1-ethenyl-4-phenoxybenzene
InchI
InChI=1S/C14H12O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h2-11H,1H2
InchI Key
UULPGUKSBAXNJN-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Oc1ccccc1
Canonical SMILES
C=CC1=CC=C(C=C1)OC2=CC=CC=C2
Isomeric SMILES
C=CC1=CC=C(C=C1)OC2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C14H12O
Heavy Atom Count
15
Molecular Weight
196.249
Exact Molecular Weight
196.0888
Valence Electrons
74
Radical Electrons
0
tPSA
9.23
MolLogP
4.1219
H Bond Acceptors
1
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

 27 28  0  0  0  0  0  0  0  0999 V2000
   -4.6395   -1.0958    1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3046   -0.2582    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173    0.0593   -0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5929    0.9619   -1.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745    1.2594   -1.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280    0.7013   -0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5457   -0.1857    0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820   -0.4985    0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0831    1.0397   -1.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1761    0.5292   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7894   -0.6204   -0.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8972   -1.1414   -0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4065   -0.4958    0.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.6609    1.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918    1.1661    0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375   -1.6087    1.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6808   -1.3044    1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1214    0.2033   -0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4180    1.4134   -1.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0179    1.9668   -2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2628   -0.6371    0.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350   -1.1988    1.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420   -1.1841   -1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3902   -2.0543   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2696   -0.9108    1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1969    1.1661    2.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    2.0666    0.9776 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  3  1  0
 15 10  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
  8 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
 14 26  1  0
 15 27  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers