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
    4.6670    0.2574   -0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8486   -0.4064    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251   -0.1201    0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6248   -0.8822    1.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759   -0.6554    1.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438    0.3569    0.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188    1.1172   -0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7887    0.8789   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863    0.5680    0.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6511   -0.2200   -0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4593   -1.5922   -0.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1032    0.0506    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2919    1.0666   -1.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7146    0.0137   -0.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2827   -1.2352    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1375   -1.6736    1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522   -1.3009    1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0604    1.8991   -0.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3520    1.4981   -1.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    0.2491    1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0186    1.6511    0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5705    0.0577   -1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2831   -1.9888   -0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7438   -0.0692   -0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1642    1.0901    0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3520   -0.6106    1.0203 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