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
    4.6336   -0.2383   -0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906   -0.5190    0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942   -0.1645    0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600    0.4899   -0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070    0.7980   -0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3045    0.4632    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2391   -0.1953    1.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5749   -0.5083    1.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7314    0.7711    0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5921   -0.3289   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3732   -1.5066    0.4720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0264    0.1371   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6949   -0.5274   -0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3356    0.2676   -1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694   -1.0370    1.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447    0.7769   -1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0521    1.3174   -1.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793   -0.4676    2.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0089   -1.0226    2.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9898    1.7068   -0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0732    0.8802    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4008   -0.5060   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7936   -1.3807    1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0324    1.2293   -0.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2975   -0.0361    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7109   -0.3993   -0.8156 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