Monomers

1-(4-Vinylphenyl)-1-propanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h3,5-8,11-12H,1,4H2,2H3
InchI Key
FNYDFLXPKVRBLU-UHFFFAOYSA-N
SMILES
CCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(C1=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
2.773
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
   -3.9666    0.6839    0.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615    0.7161    0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -0.5461   -0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205   -0.4217   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304   -1.0906    0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6957   -0.9901    0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3608   -0.2141   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873    0.4384   -1.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2016    0.3447   -1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7964   -0.1356   -0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4764    0.5704   -0.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3412   -0.7604   -1.3789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4293    1.6400    0.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3250   -0.1302   -0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2516    0.5163    1.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0194    0.8278    1.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1009    1.5974   -0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2364   -1.4091    0.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1546   -1.7120    1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683   -1.5184    1.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459    1.0462   -1.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561    0.8796   -1.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3556   -0.6860    0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0288    1.1456   -1.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5708    0.6175   -0.9612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671   -1.4095   -1.8354 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
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers