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
    4.5922    0.8038   -0.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8474   -0.1753   -0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304   -0.1298   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7396   -1.2339    0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892   -1.1761    0.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520   -0.0222    0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495    1.0712    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7178    1.0187   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8025    0.0025    0.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6431   -0.3699   -0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4829    0.4528   -1.4936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0957   -0.3935    0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6435    0.6540   -0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1749    1.7642   -0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3433   -1.1426   -0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3203   -2.1474    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1407   -2.0531    1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822    1.9890   -0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    1.8987   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1384    1.0201    1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0788   -0.6894    1.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266   -1.4172   -0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1943    1.3696   -1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7478   -0.9601   -0.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3913    0.6812    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0964   -0.8155    1.1026 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