Monomers

1-(4-Vinylphenyl)-1-propanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h3,5-8,11-12H,1,4H2,2H3
InchI Key
FNYDFLXPKVRBLU-UHFFFAOYSA-N
SMILES
CCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(C1=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
2.773
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
   -2.7283    0.6083    1.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7947    0.8674   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0534   -0.1830   -0.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223   -0.2544   -0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511    0.6971   -0.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6087    0.6922   -0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1168   -0.3160    0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574   -1.2984    0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0814   -1.2493    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -0.3821    0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125    0.4936    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2590    0.1000   -2.1792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1052   -0.4383    1.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4318    1.3020    1.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7400    0.7758    1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8638    0.7961   -0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4538    1.8878   -0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5346   -1.1626   -0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106    1.5180   -1.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.4931   -1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822   -2.0930    1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029   -2.0492    0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8863   -1.1938    1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4731    0.4235    0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1725    1.3394   -0.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1539    1.0952   -2.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  3
  3 12  1  0
  9  4  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers