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
   -3.9182    1.0708   -0.7363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299    1.0089   -0.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0457   -0.1167    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5773   -0.2942   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2299    0.7407    0.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6255    0.6014    0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1776   -0.5908   -0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3046   -1.6229   -0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0653   -1.4949   -0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171   -0.7673   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4654    0.1841    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4111    0.2482    1.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3100    0.4812   -1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0907    1.9627   -0.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3099    0.8499   -1.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5853   -1.0399   -0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1322    1.7220    0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510    1.4373    0.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7670   -2.5664   -0.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7007   -2.3306   -0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0345   -1.7243   -0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2163    1.1804    0.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5381   -0.0238    0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5187    0.2372    2.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096   -0.4333    1.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8223    1.2804    1.5086 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