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
   -3.8832    1.5463    0.3468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5535    1.3406    0.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9299    0.4150   -0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068    0.1393   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308   -0.4828    1.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046   -0.7116    1.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082   -0.3545    0.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710    0.2501   -0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4425    0.5104   -0.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5957   -0.6326    0.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5686   -0.3194   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6443   -0.9094   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3657    0.7052    0.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0575    2.3300    0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482    0.9099    1.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0082    0.8998   -1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9046   -0.7584    1.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4884   -1.1921    2.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880    0.5575   -1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1797    0.9982   -1.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8848   -1.1187    1.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6144   -0.5175    0.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629    0.1592   -0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966   -1.3041    0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5755   -0.8124   -0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0041   -1.6480   -0.9054 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