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
    5.0066    0.7943   -0.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2052    0.7894    0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8702    0.2112    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150    0.2677    1.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8582   -0.2416    1.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692   -0.8584    0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940   -0.9294   -0.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -0.4038   -0.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848   -1.4027    0.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1462   -0.7590    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1683    0.5702   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318    1.2359   -0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5411    0.5795   -0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5289   -0.7491   -0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3599   -1.4063    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9849    1.2355   -0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6662    0.3426   -1.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5764    1.2558    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    0.7476    2.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677   -0.1995    2.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5654   -1.4104   -1.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8263   -0.4770   -1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2334    1.1400   -0.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3556    2.2797   -0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4665    1.0965   -0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4962   -1.2661   -0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4226   -2.4425    0.3773 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