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
    4.5240   -1.4528   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1526   -0.2059   -0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    0.1901   -0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257    1.5529   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1433    1.9939   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1141    1.0965   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4229   -0.2411   -0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313   -0.6791   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928    1.5511    0.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1569    0.5798    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    0.0948   -0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7674   -0.8597   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0777   -1.3325    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4389   -0.8602    1.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4826    0.0946    1.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243   -2.2417   -0.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5531   -1.7094   -0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9198    0.5508   -0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2341    2.2582   -0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844    3.0499   -0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3454   -0.9828    0.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -1.7427   -0.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552    0.4742   -1.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2695   -1.2325   -1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8460   -2.0902    0.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7312   -1.2728    2.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660    0.4864    2.4985 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