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
    4.5859   -0.6127    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7911    0.3964    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466    0.3637    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5712    1.4885   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1985    1.4711   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4021    0.2873    0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397   -0.8212    0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7050   -0.7992    0.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991    0.2819    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4411   -0.1057   -0.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221   -1.3716   -1.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9496   -0.1430   -0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1938   -1.5644    0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6479   -0.4895    0.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2344    1.3555   -0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    2.3913   -0.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4031    2.3717   -0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1699   -1.7468    0.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2234   -1.7282    0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2719    1.2940    0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2057   -0.4360    1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1136    0.6149   -1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2590   -2.0455   -0.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3891   -0.7274   -1.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620   -0.6350    0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2975    0.9098   -0.7762 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