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
    4.4353    0.7803   -0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5664    0.9633    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2325    0.3880    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7832   -0.3733   -0.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849   -0.9028   -0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4067   -0.6831    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0367    0.0807    1.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3094    0.6030    1.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7800   -1.2463    0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7493   -0.3067   -0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0084   -0.9498   -0.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8613    1.0049    0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4177    1.2088   -0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2098    0.2059   -1.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650    1.5657    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317   -0.5838   -1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530   -1.4988   -1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6622    0.2685    2.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678    1.2055    2.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7904   -2.1906   -0.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270   -1.4983    1.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093   -0.1561   -1.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9194   -1.9200   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8417    1.4591   -0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8644    0.8487    1.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0733    1.7272   -0.0729 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