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
    4.5327    0.2567    0.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8028    0.1718   -0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3855   -0.0833   -0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592   -0.2636    1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2975   -0.5083    1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3674   -0.5761   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -0.4019   -1.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6672   -0.1608   -1.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8227   -0.8359   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648    0.4816   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2743    1.1987    1.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0517    0.2940   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0677    0.1319    1.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6144    0.4533    0.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885    0.3004   -1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287   -0.2211    2.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2272   -0.6426    1.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2096   -0.4554   -2.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2246   -0.0214   -2.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1616   -1.5379    0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609   -1.2991   -1.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2113    1.0785   -1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6686    1.9449    0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4104    0.2516   -1.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6108    1.1217    0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3480   -0.6777    0.2453 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