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
   -2.5801    1.9416   -0.4463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917    0.5888   -0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0660   -0.1988    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6084   -0.0420    0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950   -0.3103   -0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693   -0.1775   -0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978    0.2354    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5011    0.5096    1.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298    0.3746    1.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.3905    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3548    0.1511   -0.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113   -1.6705    0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2348    2.3214    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847    0.4039   -0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5825    0.2254   -1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4943    0.0540    1.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4144   -0.6409   -1.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9989   -0.3967   -1.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0865    0.8378    2.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.6094    2.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1571    0.7247    1.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9747   -0.1835   -1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4551    0.2775   -0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4846   -1.8651   -0.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402   -1.8080    0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7300   -2.3524    0.7873 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