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
   -4.0397    0.9603   -0.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6605    1.1483   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0274   -0.1726    0.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5696   -0.1327    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2297    0.2623   -0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209    0.2798   -0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374   -0.0989    0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425   -0.4954    1.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0722   -0.5089    1.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821   -0.0842    0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061    0.2798   -0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200   -1.2060   -0.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4774    1.3294    0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4342    1.9118    0.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3768    1.4407   -1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4217   -0.5244    1.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2623    0.5567   -1.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    0.6023   -1.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9153   -0.8025    2.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4973   -0.8360    2.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861   -0.4080    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333    0.5945   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5636    0.2631   -0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6938   -1.0982   -1.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137   -2.2002   -0.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4565   -1.0611   -1.1478 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