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
    5.0687    1.0486    0.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069    0.1653    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    0.4349    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8771   -0.5417   -0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5258   -0.3169   -0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050    0.8742    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8811    1.8325    0.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2639    1.6208    0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3683    1.0941    0.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2831    0.1619   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7721    0.0471   -1.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6952   -0.9185   -1.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1632   -1.8190   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6805   -1.7101    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7644   -0.7472    0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1240    0.8238    0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7832    1.9997    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5291   -0.8137   -0.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2753   -1.4920   -0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2021   -1.0577   -0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914    2.7862    1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9019    2.4350    0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4078    0.7462   -2.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0886   -1.0163   -2.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8855   -2.5738   -1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0056   -2.3787    1.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3999   -0.6847    1.8234 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