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
   -2.7019   -1.1016   -0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9133   -0.0784    0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9651    1.0909    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5466    0.6712    0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3104    0.5795   -0.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274    0.1857   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1704   -0.1421    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3134   -0.0548    1.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039    0.3400    1.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5426   -0.5579    0.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590   -0.6474   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3190    2.0053    1.1059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9090   -1.8368   -0.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5135   -0.5629   -1.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6680   -1.6437   -0.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9603    0.2807    0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8242   -0.5976    1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491    1.5848   -0.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0895    0.8350   -1.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    0.1515   -1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -0.3159    2.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310    0.3953    2.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070   -0.8043    1.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804   -0.9623   -0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0597   -0.4210   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4234    1.6070    1.9942 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