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
   -2.5090   -1.1511    1.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8098   -0.8122   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0365    0.4084   -0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5946    0.2233   -0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971    0.0002    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4891   -0.1771    0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903   -0.1260   -0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5056    0.1011   -1.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    0.2668   -1.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228   -0.2996   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3238   -0.5133    0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5334    1.5896    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4752   -2.1317    1.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6131   -1.6876   -0.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8956   -0.5874   -0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3568    0.5748   -1.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4843   -0.0345    1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410   -0.3473    1.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0744    0.1386   -2.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3532    0.4413   -2.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1357   -0.2504   -1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4073   -0.6391    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8490   -0.5667    1.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4704    1.3362    1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0383    2.5328    0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6106    1.7108    0.0284 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