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
   -2.5296    1.7028   -0.6186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5725    1.0940    0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9661   -0.3092    0.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5507   -0.1929    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4397   -0.4985    1.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7649   -0.4114    0.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1097   -0.0166   -0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1134    0.2917   -1.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2218    0.2076   -1.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5051    0.0906   -0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5026   -0.1836   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6826   -1.1961   -0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3143    2.3283   -0.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0454    1.7408    1.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314    1.0131    1.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0354   -0.7027    1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1222   -0.8143    2.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4948   -0.6637    1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108    0.6013   -2.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9938    0.4550   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7330    0.4080   -1.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5174   -0.0791   -0.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4137   -0.5080    0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016   -0.6855   -1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0388   -2.1068   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6432   -1.5647    0.0681 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