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
    4.3241    0.7936    0.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5594    0.7225   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2111    0.1966   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4453    0.1462   -1.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1616   -0.3475   -1.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352   -0.8105    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3063   -0.7641    1.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162   -0.2658    1.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148   -1.3126   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8651   -0.2665    0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7967    0.3374    1.3753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277    0.7326   -1.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3412    1.1955    0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0513    0.4870    1.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9281    1.0581   -1.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8873    0.5074   -2.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3731   -0.3525   -2.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1094   -1.1093    2.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903   -0.2378    2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884   -1.7514   -1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9233   -2.1482    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8513   -0.7730    0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    1.0241    1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0263    1.4831   -0.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7897    1.2866   -1.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7109    0.1686   -1.9491 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