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
   -3.1121    1.1453    0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9743   -0.2592   -0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8678   -1.0510    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115   -0.5134    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5811   -1.1667    0.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439   -0.7012    0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206    0.3964   -0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100    1.0320   -0.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2855    0.5925   -0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4565    0.8740   -0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5234    0.3072    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9011   -2.3903    0.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2844    1.5302    0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0237    1.2529    1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2854    1.8349   -0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8932   -0.2815   -1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9507   -0.7789    0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9449   -1.0685    1.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598   -2.0444    1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819   -1.2380    1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1624    1.9080   -1.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0933    1.1468   -1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5937    1.7564   -1.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5206   -0.5681    0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289    0.7104   -0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549   -2.4257   -0.7399 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