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
    4.7008   -0.6248    1.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8197    0.3218    1.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883    0.2082    0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569    1.3181    0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7537    1.2949   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4570    0.1537   -0.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603   -0.9584   -0.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3832   -0.9306    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6717    0.1706   -1.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9316   -0.2035   -1.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3693   -1.5072   -1.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6233   -1.8983   -0.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4780   -0.9637   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0508    0.3546   -0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8003    0.7262   -0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5393   -0.5092    2.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5824   -1.5722    1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9876    1.2693    2.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0613    2.2458    1.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1214    2.1953   -0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.8510   -1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0163   -1.7755    0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7357   -2.2719   -1.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9722   -2.9206   -0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4690   -1.2654    0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7130    1.0877    0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676    1.7499   -0.6102 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