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
    5.1333   -0.2208    0.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9919   -0.4202    1.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7128   -0.1619    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6739    0.3139   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646    0.5713   -1.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2825    0.3472   -0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -0.1340    0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5189   -0.3903    1.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9321    0.6014   -1.4838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    0.3691   -0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7048   -0.8821   -0.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -1.1789   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5029   -0.2256    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9249    1.0240    0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7418    1.3107   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2830    0.1453   -0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0924   -0.4301    0.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9857   -0.7938    2.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5746    0.5079   -1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4324    0.9513   -2.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6077   -0.3155    0.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5634   -0.7651    2.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2050   -1.6321   -1.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2798   -2.1831   -0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4270   -0.4869    1.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4069    1.7854    1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3104    2.2927    0.0746 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