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
    4.3697   -0.0409   -1.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5276   -0.7687   -0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860   -0.3040   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6975    0.9169   -0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4026    1.2781   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4251    0.4446    0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965   -0.7726    1.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3710   -1.1632    0.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7645    0.8736    1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8233    0.5292    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6074    1.0768   -1.2152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0364   -0.9645    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3541   -0.4197   -1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1224    0.9376   -1.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8274   -1.7789   -0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3160    1.6195   -0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0815    2.2757   -0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -1.4381    1.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161   -2.1388    0.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0464    0.4441    2.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7425    1.9924    1.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7845    0.9713    0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9494    0.4764   -1.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9673   -1.2991    1.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825   -1.5099   -0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0807   -1.2376   -0.3116 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