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
   -2.3316    1.4088    1.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453    0.8255    0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1046   -0.5281    0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6281   -0.3868    0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0280    0.3504   -0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3582    0.5254   -0.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760   -0.0655   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5695   -0.8237    0.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2091   -0.9721    1.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6113    0.0740   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170    0.7621   -0.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428   -1.1806   -1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8979    2.3004    1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5286    1.4429   -0.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8498    0.6645    0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3478   -1.1710    1.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6273    0.8363   -1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7498    1.1360   -1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306   -1.2732    1.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566   -1.5670    1.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2048   -0.4144    0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6806    1.2666   -1.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220    0.8660   -1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7225   -0.9415   -1.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593   -0.8428   -1.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5587   -2.2920   -0.9007 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