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
    4.9387   -0.1314    0.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1453   -0.9718    0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8249   -0.5621   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033   -1.4972   -0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721   -1.1237   -1.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543    0.1457   -0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0652    1.0556   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3491    0.7123    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9805    0.5494   -1.4203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1327    0.4683   -0.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1186   -0.0367    0.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2723   -0.1059    1.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4904    0.3249    0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4989    0.8303   -0.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3430    0.8980   -1.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6509    0.8708    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9121   -0.4604    1.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4758   -2.0234    0.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4157   -2.4832   -0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430   -1.8536   -1.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6978    2.0594   -0.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9252    1.4863    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1737   -0.3807    1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2773   -0.5069    2.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864    0.2611    1.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4692    1.1670   -0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4304    1.3081   -2.1448 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