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
    4.2256    1.0289   -1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5780    0.9719   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2361    0.4171    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5223   -0.0903   -0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471   -0.5997   -0.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3597   -0.6211    0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795   -0.1032    1.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6466    0.4072    1.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999   -1.1637    0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8047   -0.1557    0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0163   -0.8206    0.6081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8386    0.4683   -0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7757    0.6603   -2.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335    1.4585   -1.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789    1.3593    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9661   -0.0919   -1.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -0.9872   -1.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0687   -0.1052    2.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    0.8068    2.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8725   -1.6621    1.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971   -1.9742   -0.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7175    0.6064    1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9283   -1.8038    0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6046   -0.2468   -1.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1606    1.3632   -0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8553    0.8777   -1.1345 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