Monomers

1-(4-Vinylphenyl)-2-propanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)propan-2-ol
InchI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)8-9(2)12/h3-7,9,12H,1,8H2,2H3
InchI Key
LLWNVRSHEMAPGD-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)CC(O)C
Canonical SMILES
CC(CC1=CC=C(C=C1)C=C)O
Isomeric SMILES
CC(CC1=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
2.2529
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
    4.3380   -0.6950    0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5795    0.1721   -0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509    0.0117   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991    0.9742   -1.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310    0.8388   -1.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6437   -0.2376   -0.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240   -1.1619    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5183   -1.0492    0.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1054   -0.4238   -0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8368    0.2148    0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3970   -0.3574    1.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5756    1.7043    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9973   -1.5903    0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4329   -0.5614    0.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0685    1.0336   -0.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    1.7954   -1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5213    1.5960   -1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3866   -2.0092    0.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321   -1.8332    0.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4903    0.0800   -1.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4128   -1.4840   -0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9273    0.0347    0.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6963   -1.3021    1.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1982    2.2112   -0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9265    2.1154    1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5119    1.9494    0.4926 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  1  0
 10 12  1  0
  8  3  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers