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
    3.9852    0.9844   -0.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111    1.1023   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484   -0.1666   -0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4052   -0.2066   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3612    0.8623   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7335    0.7020    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3569   -0.5071    0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713   -1.5934   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2272   -1.4376   -0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7713   -0.7207    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5543    0.2615    0.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553   -1.2268    0.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4741    0.3893    0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4548    1.9593   -0.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0659    0.3728   -1.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    1.2056    0.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0209    1.9468   -0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0352   -0.2882   -1.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0730    1.8418    0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2823    1.5923    0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -2.5674   -0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271   -2.3422   -0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1974   -1.7101    0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1963    1.2609    0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6026    0.0819    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8359   -1.7967    0.5398 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