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
    4.5766    0.7314   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7573   -0.2277   -0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3733   -0.2178   -0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5526   -1.2821   -0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2396   -1.2891   -0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3007   -0.2732    0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900    0.7778    0.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.7915    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524   -0.3349    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170    0.3695   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3302   -0.2319   -1.5844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9718    0.4307    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552    1.5602    0.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    0.6660   -0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1033   -1.0802   -1.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9890   -2.0972   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4048   -2.1291   -0.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0332    1.5585    1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137    1.6537    0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    0.2200    1.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0117   -1.4118    0.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    1.4260   -0.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9275   -1.0268   -1.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2924   -0.5464    0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5635    0.8066   -0.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0459    1.1563    0.9011 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