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
    5.1458    0.4525    0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9745    0.6264    0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030    0.2878    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5231    0.5066    0.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2956    0.1975    0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2007   -0.3492   -0.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826   -0.5645   -1.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370   -0.2544   -1.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0339   -0.6649   -1.5194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1711   -0.4078   -0.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6178   -1.4137    0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7489   -1.2112    0.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3668   -0.0068    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9324    1.0049   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8164    0.8022   -0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    0.7152    0.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    0.0380   -0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0258    1.0638    1.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5637    0.9368    1.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6301    0.3772    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2927   -0.9978   -2.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209   -0.4577   -1.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0766   -2.3492    0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0488   -2.0381    1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2465    0.1587    1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4501    1.9710   -0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4340    1.5766   -1.4939 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