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
    2.5018   -1.2060    1.8331 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -0.0161    1.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920   -0.0177   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6408   -0.1332   -0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038   -1.1677   -0.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3912   -1.2798   -0.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1688   -0.3710   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    0.6613    0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1466    0.7550    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6033   -0.5124   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4353    0.2971    0.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    1.2947   -0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1460   -1.8802    1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764    0.8006    1.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8701    0.0463    1.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5085   -0.8460   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5686   -1.9105   -1.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8409   -2.1214   -1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0778    1.4138    1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3178    1.5694    1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0557   -1.3596   -0.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5026    0.1252    0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0706    1.1506    1.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0460    2.1287   -0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5341    1.3069   -1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9196    1.2721   -1.8787 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