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
   -2.8461   -0.1098    1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9337   -0.3601   -0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655    0.4829   -1.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575    0.2238   -0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1238   -0.9126   -1.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4274   -1.1475   -0.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1456   -0.2099    0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4753    0.9354    0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436    1.1422    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5157   -0.4629    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2095    0.3897    1.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1918    0.1688   -2.4576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0003    0.9804    1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7188   -0.6272    1.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132   -0.4304    1.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7494   -1.4340   -0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9582   -0.1205   -0.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146    1.5367   -0.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3754   -1.6671   -1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497   -2.0625   -0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    1.6856    0.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3106    2.0652    0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0056   -1.3787    0.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595    0.1901    1.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448    1.3328    1.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335   -0.2102   -2.8094 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