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
   -3.8829   -0.5424    1.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5402   -0.6813    1.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9817    0.5725    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5454    0.2936    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643   -0.7068   -0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1519   -0.9958   -1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708   -0.2525   -0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194    0.7593    0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4694    1.0208    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5624   -0.5489   -0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883    0.0981   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7348    0.8190   -0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9943   -0.8174    2.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9220   -0.8492    1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3876   -1.5647    0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0549    1.4126    1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9263   -1.2926   -1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640   -1.7810   -1.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5714    1.3807    0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2531    1.8082    1.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -1.3565   -1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765    0.9140    0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6176   -0.1816   -0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110    1.6545   -1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8052    0.9637   -0.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6785   -0.1264   -1.4848 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