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
    5.2219    0.3011    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0996    0.9190    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8246    0.2701    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -1.0048   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253   -1.5492   -0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748   -0.8359   -0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4073    0.4449    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415    0.9833    0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839   -1.3716   -0.6053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565   -0.7116   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7624    0.0606   -1.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9487    0.7292   -1.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5646    0.6412    0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9841   -0.1206    1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8022   -0.7754    0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3044   -0.6982   -0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1489    0.8237    0.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1055    1.9251    0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5821   -1.5993   -0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3411   -2.5563   -1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5021    1.0268    0.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7235    2.0003    0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3266    0.1647   -2.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4318    1.3387   -1.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4867    1.1524    0.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4692   -0.1946    2.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3747   -1.3636    1.6546 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