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
    4.7692   -1.3941   -0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1023   -0.2991   -0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8035   -0.0612   -0.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1835    1.1521   -0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    1.4578    0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153    0.5509    0.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239   -0.6538    1.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799   -0.9738    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9356    0.8379    1.3931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1090    0.5168    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0740   -0.1087   -0.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2590   -0.4196   -1.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4791   -0.1163   -0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4812    0.5141    0.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3054    0.8331    1.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7479   -1.5628   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995   -2.1977   -0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    0.4744   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6908    1.8809   -1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4662    2.4229   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4420   -1.3950    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6267   -1.9260    0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1251   -0.3512   -0.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171   -0.9085   -2.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4164   -0.3588   -1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4269    0.7634    1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3455    1.3224    2.3037 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