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
    4.6642    0.2752   -0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110   -0.6480    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3901   -0.3774    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5361   -1.4298    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2110   -1.1463    0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3091    0.1255    0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5581    1.1323    0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    0.9061    0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7509    0.3444    0.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5824    0.1868   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164   -1.1049   -0.7944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0259    0.4675    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    1.3020   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7198   -0.0110   -0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1437   -1.6892    0.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9536   -2.4289    0.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683   -1.9756    1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930    2.1463    0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    1.7636   -0.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0936   -0.3976    1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8857    1.3603    1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2892    0.8793   -1.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1940   -1.3628   -1.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3737   -0.3074    0.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0066    1.4766    0.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6219    0.5129   -0.8404 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