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
    4.1023    1.4447   -0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5646    0.2657   -0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2044    0.0601   -0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083   -1.2368    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4071   -1.4247    0.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4196   -0.3632    0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0801    0.9038    0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3918    1.1297    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8380   -0.6251    1.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7293   -0.6664   -0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0352   -0.9104    0.4067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6290    0.6462   -0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1461    1.5501   -0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    2.3679   -0.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1631   -0.6200   -0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3514   -2.1012   -0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0224   -2.4449    0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5936    1.7192    0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139    2.1733    0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8206   -1.6149    1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1774    0.1161    1.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3557   -1.4560   -0.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1181   -1.8380    0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6014    0.7279   -1.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026    1.5092   -0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3317    0.6878   -1.6157 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