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
   -2.2733    1.7664    1.1602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5041    1.4908   -0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114    0.0767   -0.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748   -0.0682   -0.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1256   -0.0349    0.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236   -0.1725    1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1221   -0.3559    0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5591   -0.3878   -1.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1865   -0.2479   -1.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5395   -0.4963    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4317   -0.6695   -0.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9622   -0.9049    0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669    2.3621    1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8405    2.1769   -0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5781    1.6719   -0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029   -0.0461   -1.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7817    0.1030    1.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6677   -0.1472    2.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995   -0.5270   -1.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1865   -0.2846   -2.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8871   -0.4581    1.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4879   -0.7734   -0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1256   -0.7129   -1.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8058   -1.9261   -0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0251   -0.6456   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7912   -0.7890    1.2772 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