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
    5.0672   -0.7714    0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8699   -0.9734    1.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568   -0.5124    0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108   -0.7613    0.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2639   -0.3324    0.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3064    0.3490   -0.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5163    0.6088   -1.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6731    0.1707   -0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8629    0.7879   -1.4239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0613    0.5178   -0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7080   -0.6487   -1.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9080   -0.8964   -0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171    0.0300    0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7615    1.2025    0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5610    1.4377    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9484   -1.1366    1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2392   -0.2612   -0.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7604   -1.5051    2.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3899   -1.3009    1.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6973   -0.5487    0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5656    1.1531   -2.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6066    0.3877   -1.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2801   -1.3424   -1.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4324   -1.8146   -0.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3634   -0.2058    0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1917    1.8836    1.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300    2.3616    0.3174 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