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
    5.2886    0.3297    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1620    0.9741    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460    0.3447    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6627   -1.0208    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3825   -1.5892    0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2546   -0.8041    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270    0.5607   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859    1.1272    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9777   -1.3972    0.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1824   -0.7511   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7687   -0.4618   -1.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0011    0.1985   -1.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6263    0.5589   -0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0432    0.2712    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8143   -0.3871    1.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3358   -0.7529    0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2416    0.8758    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    2.0677    0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367   -1.6578    0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3569   -2.6642    0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344    1.2042   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283    2.2055   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3194   -0.7234   -2.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4655    0.4279   -2.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5949    1.0775   -0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5767    0.5770    1.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3959   -0.5909    2.1272 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