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
   -2.3707    1.8504   -1.0725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7670    0.4931   -1.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0884   -0.1700    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6177   -0.1024    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0863   -0.6613   -1.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585   -0.5954   -1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2126    0.0501   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5195    0.6054    0.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1362    0.5294    1.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    0.1003   -0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4330    0.6859    0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5939   -1.5893    0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9050    2.3849   -0.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8577    0.5110   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405   -0.0103   -2.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4041    0.3496    1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451   -1.1790   -1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870   -1.0392   -1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    1.1104    1.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3645    0.9848    1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1068   -0.3752   -1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180    0.6803    0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0554    1.1701    1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -2.1453    1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6717   -1.5204    0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5742   -2.1179   -0.7360 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