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
   -4.3422    1.4676   -0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5369    0.5409   -0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2148    0.2574   -0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624    0.9669    0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032    0.6586    1.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3592   -0.3535    0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924   -1.0579   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4580   -0.7592   -0.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7044   -0.7344    1.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8071    0.0020    0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -0.4668    0.9852 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8363   -0.2925   -1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3305    1.6351   -0.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0870    2.1230    0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8889   -0.0740   -1.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2628    1.7614    1.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158    1.2427    2.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3186   -1.8719   -0.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8704   -1.3223   -1.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464   -1.8167    0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7709   -0.4834    2.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889    1.0824    0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1440   -1.4328    0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289    0.3466   -1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6833   -1.3784   -1.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627   -0.0405   -1.4024 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