Monomers

1-(4-Vinylphenyl)-1-propanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h3,5-8,11-12H,1,4H2,2H3
InchI Key
FNYDFLXPKVRBLU-UHFFFAOYSA-N
SMILES
CCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(C1=CC=C(C=C1)C=C)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
20.23
MolLogP
2.773
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
   -3.9751    0.2093    0.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -0.1375    0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7873    0.5739   -0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3548    0.2014   -0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676    1.0886    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9255    0.7743    0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3662   -0.4467   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4134   -1.3128   -0.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0661   -1.0292   -0.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700   -0.8271   -0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6931   -0.0093    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523    0.2262   -1.7389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4632   -0.4668    1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1780    1.2509    0.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3568   -0.0230   -0.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4295   -1.2259    0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    0.1164    1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8660    1.6609   -0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2501    2.0742    0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788    1.5200    0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219   -2.3009   -1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6468   -1.7668   -1.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0582   -1.8038   -0.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7457   -0.3379    0.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5203    0.9652    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743    1.0265   -2.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  3
  3 12  1  0
  9  4  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers