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
    4.4232    0.5123    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5665   -0.3913    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1808   -0.3407    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683   -1.3144    0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0495   -1.2851    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866   -0.2518   -0.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3992    0.7200   -1.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7373    0.6830   -0.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9235   -0.1748   -1.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7027    0.6148   -0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0298    0.7086   -0.5574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6459   -0.1299    1.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2429    1.3584   -0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4684    0.4169    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8762   -1.2158    1.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6455   -2.1119    1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600   -2.0469    0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0767    1.5540   -1.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3847    1.4999   -1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9761    0.3468   -2.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3239   -1.2066   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2431    1.6011   -0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1480    1.4387   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -1.1812    0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4052    0.3142    1.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6312   -0.1180    1.5716 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