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
   -5.1819    1.0798    0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5777   -0.0504    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1187   -0.1523    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5498   -1.4082   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -1.5389   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3013   -0.4573    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8953    0.7656    0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2871    0.9227    0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726   -0.7398   -0.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2121   -0.3408   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2445   -1.2931   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5620   -0.9656   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    0.3323   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0072    1.3055    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6531    0.9468    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6466    1.9946    0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2574    1.1214    0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1963   -0.9506    0.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2371   -2.2572   -0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7636   -2.5306   -0.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2787    1.6314    0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6959    1.8891    0.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   -2.3050   -0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3616   -1.6881   -0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902    0.6032   -0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3222    2.3300    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9725    1.7556    0.2639 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