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
    4.8687   -1.2876   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1157   -0.4914    0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8127   -0.0009    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347   -0.3173   -0.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794    0.1719   -1.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676    1.0037   -0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8260    1.3355    0.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0634    0.8434    1.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709    1.4672   -0.9195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1077    0.7309   -0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0400   -0.4536    0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1877   -1.1828    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4383   -0.7534   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5024    0.4310   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3598    1.1588   -1.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5319   -1.6091   -1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8206   -1.6168    0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489   -0.1484    1.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7452   -0.9567   -1.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5423   -0.0861   -2.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2821    1.9937    1.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4779    1.1207    2.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0778   -0.8175    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1383   -2.1219    0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3343   -1.3264    0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4621    0.8196   -1.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3977    2.0938   -1.5594 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