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
   -4.1985    1.3424    0.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5498    0.2184    1.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2179   -0.0207    0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231    0.9502   -0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377    0.7017   -0.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3664   -0.5190   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3364   -1.4810    0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991   -1.2621    0.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7274   -0.8105   -1.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7891   -0.4625    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0235   -0.7704   -0.5763 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    1.0070    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1843    1.4574    1.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7605    2.1746    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0502   -0.6059    1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9366    1.9483   -0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2904    1.4726   -1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -2.4521    0.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312   -2.0530    1.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7652   -1.8788   -1.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9505   -0.2024   -1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6599   -1.0898    0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1489   -1.7464   -0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6092    1.5905   -0.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    1.3077    0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8646    1.1839    1.0405 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