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
    4.3274   -0.1367   -0.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    0.5405   -0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2482    0.2834    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988    1.0551    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2682    0.8200    1.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4697   -0.1302    0.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1994   -0.8745   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463   -0.6825   -0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8849   -0.4208    0.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8151    0.3752    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1262   -0.0277    0.4322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6210    0.0066   -1.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8989   -0.9220   -1.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913    0.0917   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574    1.3104    0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    1.8310    1.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560    1.4063    2.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203   -1.6391   -0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   -1.3141   -1.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634   -1.4962    0.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1181   -0.2025    2.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7748    1.4558    0.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1362   -1.0196    0.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8748   -1.0739   -1.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5976    0.1649   -1.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3673    0.5988   -1.9365 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