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
    4.6802    1.2587    0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3190    0.2031    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9227   -0.1083   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8825    0.6577    0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662    0.2812    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370   -0.8406   -0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -1.5970   -1.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5974   -1.2535   -0.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417   -1.2412   -0.8914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1827   -0.5852   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7436   -0.9257    0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8850   -0.3128    1.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4521    0.6563    0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8973    1.0009   -0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614    0.3941   -1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9898    1.9730    1.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7483    1.4569    0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0689   -0.4448   -0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0743    1.5483    0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.8805    0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065   -2.5060   -1.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4029   -1.8498   -1.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2942   -1.7034    1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3329   -0.5742    2.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3576    1.1913    0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3509    1.7703   -1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3205    0.6705   -2.2371 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