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
    4.3917    0.1798   -0.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757    0.7515   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    0.2762    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309    0.8852    0.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0272    0.4852    1.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966   -0.5548    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503   -1.1646   -0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761   -0.7601   -0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9007   -1.0133    0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7942   -0.2565   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1098   -0.6457   -0.2988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6059    1.2293   -0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1576   -0.6442   -1.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4385    0.5207   -1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    1.5691    0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    1.7114    1.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6089    0.9826    1.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.9913   -1.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2954   -1.2839   -1.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0040   -2.0975    0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2824   -0.8777    1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4291   -0.4790   -1.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2293   -1.5678    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7411    1.5104    0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5631    1.4967   -0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3491    1.7386   -0.8218 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