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
   -2.8702   -1.4312   -0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8651   -0.1879   -0.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547    0.7752   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5547    0.3543   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4372    1.1017   -0.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7840    0.7198   -0.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -0.4112   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1773   -1.1742    0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.7961    0.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5441   -0.8845    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5735   -0.2583   -0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4782    0.9402    1.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4903   -1.5126    0.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552   -0.2437   -1.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8956    0.2206   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    1.7605   -0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1768    2.0165   -1.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196    1.3456   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481   -2.0865    1.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9316   -1.3970    1.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554   -1.8209    0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3952    0.6589   -0.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5830   -0.6689   -0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026    1.9204    1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5926    0.9016    1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220    0.1577    1.8898 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