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
   -4.9598    1.0959    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1965    0.1718    0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8303   -0.1222    0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1050   -1.1307    0.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8240   -1.4363    0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267   -0.7428   -0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9148    0.2466   -1.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2179    0.5479   -0.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0658   -1.0837   -1.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1902   -0.5081   -0.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4363   -0.9196   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5812   -0.3599   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4529    0.6132    0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057    1.0401    1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0685    0.4689    0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6044    1.6981   -0.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9494    1.2686    0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6180   -0.4160    1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5936   -1.6563    1.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3234   -2.2315    0.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793    0.8062   -2.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7420    1.3354   -1.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172   -1.6970   -1.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5767   -0.6496   -0.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    1.0923    1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014    1.8065    1.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0804    0.7623    0.8076 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