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
    4.5058   -0.6079    0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246   -0.6158   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2339   -0.1689   -0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7522    0.3058    0.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4185    0.7235    1.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4459    0.6805    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0439    0.2030   -1.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3594   -0.2088   -1.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8438    1.1248    0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7761    0.0070    0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0885    0.4609    0.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7423   -1.0451   -0.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2446   -0.2594    1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5036   -0.9510    0.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9507   -0.9865   -1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3585    0.3721    1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0144    1.1031    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160    0.1559   -2.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7663   -0.5895   -2.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2412    1.6024   -0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9359    1.9069    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -0.4269    1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3267    1.1252   -0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7857   -1.6054   -0.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299   -1.7345   -0.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482   -0.5713   -1.5521 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