Monomers

2-(4-Ethenylphenyl)propan-1-ol

Identifiers

IUPAC name
2-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)9(2)8-12/h3-7,9,12H,1,8H2,2H3
InchI Key
IWONVDRULKJRQP-UHFFFAOYSA-N
SMILES
OCC(c1ccc(cc1)C=C)C
Canonical SMILES
CC(CO)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(CO)C1=CC=C(C=C1)C=C
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
2.4254
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
   -2.4989    2.0329   -0.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8263    0.6978   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1135   -0.1957    0.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6426   -0.0977    0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -0.3278   -0.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152   -0.2426   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491    0.0757    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5363    0.3012    1.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1644    0.2166    1.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5865    0.1512   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4191    0.4466    0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5022   -1.6208    0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3456    2.4075   -1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9032    0.5825   -0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630    0.3012   -1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4296    0.0145    1.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6035   -0.5819   -1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7935   -0.4208   -1.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1502    0.5546    2.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2466    0.4091    2.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0077   -0.0435   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0909    0.6488    1.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5006    0.5064    0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5566   -1.7583    0.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8817   -2.3749    0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -1.6825   -0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  3
  3 12  1  0
  9  4  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 10 21  1  0
 11 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