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
   -2.3986    1.7661    1.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7684    0.4367    1.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0994   -0.4021   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -0.3859    0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0913   -1.5323    0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523   -1.5657    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870   -0.3920    0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4937    0.7662    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1095    0.7674   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   -0.4712    0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4179    0.5629    0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5659   -0.0083   -1.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8160    2.2880    0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252   -0.0071    2.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8660    0.3491    0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4259   -1.4487    0.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445   -2.4803    0.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9778   -2.4828    0.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0301    1.7043   -0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703    1.6958   -0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0950   -1.4268    0.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997    0.4582    0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9964    1.5226    0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173   -0.8821   -1.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4104    0.7263   -1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297    0.4418   -1.9688 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