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
   -2.0362   -1.2456    2.1894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152   -0.0606    1.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1617   -0.0875    0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692   -0.1786    0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0860    0.8705    0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4600    0.8207    0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0534   -0.2956   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2884   -1.3528   -0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0676   -1.2815   -0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4968   -0.4203   -0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3097    0.5172    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600    1.1122   -0.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9467   -1.9752    1.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6128   -0.0621    1.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901    0.8335    2.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6076   -1.0088   -0.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3650    1.7511    0.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0438    1.6641    0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279   -2.2317   -1.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7365   -2.0762   -0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094   -1.3164   -0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3878    0.3477    0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9951    1.4235    0.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855    1.7416   -0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188    0.7865   -1.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852    1.7243   -0.0347 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