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
    4.4809    0.0800    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5361   -0.8272    0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1326   -0.4781    0.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215   -1.5146    0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1295   -1.2845    0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358   -0.0040    0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2599    1.0338    0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6295    0.7893    0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0826    0.1836    0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7871    0.2668   -0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2438    1.3717   -1.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7280   -0.9764   -1.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2307    1.1221    0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5342   -0.1522    0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8608   -1.8574    0.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779   -2.5384    0.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7886   -2.1646    0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0797    2.0707    0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    1.6290    0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5336   -0.6362    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3047    1.1202    1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8433    0.5415   -0.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2740    2.1701   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5166   -1.6970   -1.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7597   -1.4684   -1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587   -0.7020   -2.4950 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