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
    4.3903    0.7705   -0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442    0.3307    0.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445   -0.0147    0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279   -0.4769    1.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2061   -0.8208    1.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4784   -0.7280    0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2442   -0.2689   -0.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    0.0779   -0.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8852   -1.0662    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8380    0.0667    0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1294   -0.4248    0.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089    1.1430   -0.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533    1.0256   -0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9622    0.8871   -1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0887    0.2204    1.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0455   -0.5647    2.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3615   -1.1821    2.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2400   -0.1682   -1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    0.4303   -1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0361   -1.4223   -0.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819   -1.9268    0.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8091    0.4845    1.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2076   -0.4792   -0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6234    1.5825   -0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4436    1.8970   -0.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990    0.6274   -1.7255 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