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
   -4.6060    0.7091    1.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0266    0.8872    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7556    0.2754   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0541   -0.5412    0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8535   -1.1108    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3335   -0.8577   -0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163   -0.0434   -1.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2065    0.5108   -1.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8706   -1.4534   -1.1508 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595   -0.7871   -0.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2788   -1.3455   -1.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4383   -0.6691   -0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3537    0.5770   -0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208    1.1352    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788    0.4632   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2004    0.1015    2.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5550    1.1787    1.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5367    1.5308   -0.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4602   -0.7416    1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3679   -1.7382    1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5535    0.1233   -2.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7189    1.1471   -2.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -2.3250   -1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4246   -1.1147   -1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    1.0764   -0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966    2.1236    0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0194    0.8885   -0.0561 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