Monomers

1-(4-Vinylphenyl)-2-propanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)propan-2-ol
InchI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)8-9(2)12/h3-7,9,12H,1,8H2,2H3
InchI Key
LLWNVRSHEMAPGD-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)CC(O)C
Canonical SMILES
CC(CC1=CC=C(C=C1)C=C)O
Isomeric SMILES
CC(CC1=CC=C(C=C1)C=C)O
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
2.2529
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
    4.6019    0.2600   -1.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7372    0.9738   -0.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3779    0.5123   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8912   -0.6831   -0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5740   -1.0420   -0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2881   -0.2446    0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2134    0.9383    0.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    1.3173    0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664   -0.6989    0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6046   -0.2457   -0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6711    1.1457   -0.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9913   -0.7295   -0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3509   -0.6784   -1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6413    0.5886   -1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0196    1.9246    0.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5252   -1.3355   -1.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243   -2.0002   -0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4410    1.5902    1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8578    2.2493    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0356   -0.3094    1.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6814   -1.8080    0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3017   -0.6440   -1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8185    1.5454    0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9194   -1.5821    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5222   -1.1056   -1.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5806    0.0614    0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  8  3  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 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