Monomers

2-(4-Ethenylphenyl)propan-1-ol

Identifiers

IUPAC name
2-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)9(2)8-12/h3-7,9,12H,1,8H2,2H3
InchI Key
IWONVDRULKJRQP-UHFFFAOYSA-N
SMILES
OCC(c1ccc(cc1)C=C)C
Canonical SMILES
CC(CO)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(CO)C1=CC=C(C=C1)C=C
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
2.4254
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
   -2.4923   -1.1616    1.1472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864   -1.0247   -0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0223    0.2079   -0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5668    0.0979   -0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925   -0.1221   -1.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -0.2184   -1.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075   -0.0946   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.1288    1.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1090    0.2210    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5265   -0.1954    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4118   -0.4025   -0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5591    1.4869   -0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1017   -0.5995    1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1869   -1.8989   -0.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7611   -1.0929   -0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2141    0.1369   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821   -0.2160   -2.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -0.3930   -2.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400    0.2172    2.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8148    0.3967    1.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8631   -0.0934    1.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4668   -0.4662   -0.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1240   -0.5080   -1.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4126    1.3681    0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8467    2.1751   -1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7553    2.0506    0.3183 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
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 10 21  1  0
 11 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