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
    4.6151    1.3481   -0.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784    0.1545   -0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930   -0.2066   -0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984   -1.5060    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2939   -1.8924    0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2336   -1.0269    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5587    0.2305   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8583    0.6705   -0.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0697   -1.4324    0.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1717   -0.6482    0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6264    0.1017    1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7402    0.8887    1.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3936    0.9246   -0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9431    0.1778   -1.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8236   -0.6064   -0.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6703    1.5973   -1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833    2.0965   -1.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0588   -0.6103   -0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4218   -2.1730    0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303   -2.9057    0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2546    0.9273   -0.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0162    1.6993   -0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1487    0.1038    2.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1058    1.4846    1.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2640    1.5588   -0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4739    0.2297   -2.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949   -1.1861   -1.8405 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