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
    5.0141    0.8274   -0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2488   -0.2172   -0.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9147   -0.2258   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543   -1.3906   -0.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8861   -1.4271    0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071   -0.3259    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628    0.8267    0.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    0.8727    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9451   -0.4046    1.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1360   -0.1630    0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2943   -0.3087    1.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5524   -0.0870    0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6655    0.2987   -0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5390    0.4539   -1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2944    0.2240   -0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    1.7528   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9983    0.7846   -1.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6454   -1.1420   -1.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6176   -2.2499   -0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3598   -2.3647    0.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    1.6975    1.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    1.8051    0.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2419   -0.6096    2.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4576   -0.2009    1.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6372    0.4734   -0.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6210    0.7573   -2.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4017    0.3429   -1.2210 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