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
    4.6189   -0.6059   -0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7573    0.2379   -1.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3815    0.2746   -0.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8525   -0.5328    0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176   -0.4236    0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3171    0.4912    0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2048    1.2983   -0.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5154    1.2093   -1.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7342    0.6064    0.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5811   -0.3115   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1484   -1.6259   -0.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0289   -0.2510    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3639   -1.3028    0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6452   -0.6161   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595    0.9403   -1.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011   -1.2690    0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1614   -1.0944    1.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    2.0546   -1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989    1.8792   -1.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0334    1.6499    0.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089    0.2715    1.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5616   -0.0246   -1.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6939   -2.0520    0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6639   -0.5838   -0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1670   -0.9925    1.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3296    0.7728    0.5205 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