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
    3.9616    1.6700    1.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5162    0.5380    0.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1664    0.3045    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7951   -0.9353   -0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5263   -1.1624   -0.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437   -0.1845   -0.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0679    1.0439   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    1.2958    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7632   -0.5127   -1.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336   -1.0251   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3296   -2.1752    0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9566    0.1152    0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9724    1.7585    1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439    2.5343    1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1968   -0.3281    0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5502   -1.7153   -0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286   -2.1809   -1.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859    1.8548   -0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926    2.2676    0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593   -1.3225   -2.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1675    0.3586   -1.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7279   -1.2124   -0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3249   -2.0214    1.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0081    0.3463    1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7089   -0.2655    1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3791    0.9680    0.1384 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