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
    4.7659    0.0640   -1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9872    0.8457   -0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954    0.4293    0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154   -0.8302   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9598   -1.1960    0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.3165    1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.9362    1.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396    1.3123    0.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304   -0.7338    1.5177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1129   -0.4863    0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7817    0.7036    0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8347    0.9552   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2165    0.0214   -1.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5331   -1.1771   -1.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4826   -1.4206   -0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4686   -0.9278   -1.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7200    0.4309   -1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020    1.8805   -0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441   -1.5882   -0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5652   -2.1962    0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0821    1.5997    1.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3070    2.3232    1.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4706    1.4469    1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3738    1.9050   -0.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0530    0.2813   -1.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8626   -1.8854   -1.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9401   -2.3770   -0.3599 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