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
   -4.3495    0.7466   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6389   -0.1855    0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -0.3094    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   -1.3386    0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441   -1.4852    0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636   -0.6489   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1631    0.3529   -1.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5318    0.5388   -0.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0077   -0.8340   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8594   -0.0684    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6352   -0.4362    1.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    1.4267    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9457    1.4701   -0.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4057    0.8161   -0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1010   -0.9028    0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0275   -2.0038    1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720   -2.2969    0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3533    1.0368   -1.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0404    1.3574   -1.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2454   -1.9090   -0.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3073   -0.5345   -1.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230   -0.3411    0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1157    0.2019    2.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1099    1.7386   -0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2598    1.9177    0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211    1.6907    0.2565 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