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
   -4.3229    0.6087   -1.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6490   -0.3621   -0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2839   -0.2344   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440   -1.3266    0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3544   -1.2646    0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774   -0.0986    0.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2366    0.9858    0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5509    0.9209   -0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7774   -0.0082    1.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788   -0.3757    0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0480   -0.2643    0.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334    0.5748   -0.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8456    1.5650   -1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3421    0.4848   -1.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1797   -1.3190   -0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2200   -2.2436    0.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421   -2.1096    1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098    1.9105    0.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9827    1.8046   -0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990    0.9949    1.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905   -0.7337    2.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.4120   -0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7002   -0.4323    0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9369    0.2427   -1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990    0.4750   -1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5815    1.6171   -0.5657 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