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
    4.2794   -1.0223    0.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5170    0.0292    1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.0351    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6426   -1.0275   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3692   -0.9524   -0.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3876    0.1884   -0.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1545    1.2641   -0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    1.1903    0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7374    0.2827   -1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289   -0.1343   -0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6476   -1.4569   -0.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9267    0.7269    0.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9647   -1.9208    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670   -0.9647    1.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8572    0.9266    1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062   -1.9625   -0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0181   -1.8330   -1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304    2.1946   -0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    2.0262    0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9474    1.2965   -1.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8328   -0.4004   -2.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862   -0.1081   -0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2127   -2.0883   -0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7063    1.7854    0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2547    0.3387    1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0024    0.6912    1.1209 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