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
   -2.6525    1.5233    1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7981    0.8441   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0904   -0.4463   -0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6383   -0.4441   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935    0.6571    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.6021    0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1756   -0.5561   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4398   -1.6643   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701   -1.6088   -0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241   -0.6070    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3764    0.3969    0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4646   -0.9650   -1.6591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724    1.5475    1.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0279    0.9889    1.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3991    2.5940    0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8761    0.6668   -0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    1.5387   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -1.2187    0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3463    1.6190    0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0117    1.4952    0.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0052   -2.5715   -0.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4657   -2.5227   -0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0985   -1.5681   -0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4618    0.2418    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0185    1.3898    0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5737   -1.9326   -1.6323 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