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
   -4.0762    2.0260   -0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4134    1.0926   -1.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1884    0.5305   -0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565   -0.4650   -1.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935   -0.9946   -0.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -0.5865    0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4608    0.3887    1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378    0.9345    0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4082   -1.1920    0.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   -0.3385    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235   -0.4128   -1.0453 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901   -0.8968    0.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7296    2.4037    0.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9838    2.4133   -0.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824    0.7108   -2.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9742   -0.8018   -2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0854   -1.7757   -1.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471    0.7291    2.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0889    1.7027    1.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4633   -1.1788    2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877   -2.2078    0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056    0.7069    0.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8221    0.3355   -1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -1.6334    1.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3641   -1.4091   -0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5669   -0.0815    1.0789 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