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
   -2.9964   -0.9376    0.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8679   -0.3135   -0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9062    0.8425   -0.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5337    0.4896   -0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4291    0.1848   -1.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -0.1490   -0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322   -0.1955    0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1509    0.1154    1.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1272    0.4427    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4776   -0.5385    0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4135   -0.8319   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3797    1.9495   -0.0403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0845   -0.2408    1.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9531   -1.5374    0.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890   -1.7005    0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400   -1.0926   -1.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8547    0.0689   -1.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8697    1.1679   -1.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546    0.2090   -2.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338   -0.3774   -1.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4624    0.0813    2.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8786    0.6816    1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6983   -0.5475    1.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4220   -1.0886    0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -0.8379   -1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714    2.4584    0.2592 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