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
    4.5540   -0.1220   -1.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7186    0.8081   -0.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863    0.5110   -0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673   -0.7513   -0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5820   -0.9865    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2421    0.0500    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2728    1.3207    0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5373    1.5585   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6189   -0.1817    1.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6449   -0.2018   -0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5936    1.0377   -0.6509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9890   -0.4828    0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2612   -1.1530   -1.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5396    0.1380   -1.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    1.8510   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715   -1.6107   -0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017   -1.9900    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3705    2.1599    0.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9489    2.5516   -0.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160    0.6060    1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6416   -1.1371    1.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3373   -0.9817   -0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0737    1.7374   -0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5913    0.4460    0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4942   -1.2315   -0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8920   -0.9617    1.6094 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