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
    4.7878   -0.8750    1.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9636    0.1294    1.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213    0.1500    0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3392   -0.8646   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340   -0.7398   -1.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3141    0.3405   -0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    1.3582   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8839    1.2653    0.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8949    0.4816   -1.5356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677    0.0126   -0.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    0.1485   -1.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4562   -0.3233   -1.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3640   -0.9277    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630   -1.0617    0.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0017   -0.5936    0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957   -1.7146    0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7084   -0.8264    1.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789    0.9972    1.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644   -1.7451   -0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8386   -1.5327   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0303    2.2245    0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1679    2.0930    1.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2873    0.6291   -2.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4143   -0.2234   -1.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2634   -1.3014    0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0891   -1.5335    1.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0335   -0.6754    0.7362 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