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
    4.3964    1.4541    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6563    0.4862    0.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3212    0.1750    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536    0.8342   -0.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3730    0.4655   -0.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2831   -0.5721   -0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3666   -1.2496    0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300   -0.8732    0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6706   -0.9753   -0.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6183   -0.1692    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.1871   -0.2014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0614   -0.4413   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0258    2.0747   -0.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3864    1.6557    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0794   -0.1043    1.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699    1.6579   -1.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410    0.9971   -1.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1665   -2.0746    1.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1158   -1.4349    1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047   -2.0507   -0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7884   -0.7099   -1.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4302   -0.4004    1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5251    1.4803    0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6940   -0.0992    0.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2543   -1.4861   -0.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3908    0.1731   -1.1327 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