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
   -2.5140   -1.4758   -1.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7321   -0.8572    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1052    0.5210    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6396    0.3656   -0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670    1.0132   -1.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824    0.8817   -1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1133    0.1225   -0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5074   -0.5099    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1329   -0.4000    0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5323    0.0396   -0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3826   -0.6393   -0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4203    1.0912    1.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6168   -2.4487   -1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8073   -0.8372    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461   -1.4854    0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5712    1.1578   -0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6819    1.6080   -1.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7192    1.3933   -2.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082   -1.1193    1.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3272   -0.9110    1.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9132    0.5810   -1.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577   -1.1858    0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4531   -0.6986   -0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5962    1.7463    1.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5463    0.2962    2.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310    1.7505    1.5150 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