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
   -4.0678   -0.1222    0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.4354    0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196    0.4852   -0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3481    0.2606   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4513    1.0887    0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8342    0.8891    0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4578   -0.1530   -0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6293   -0.9886   -0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -0.7849   -0.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840   -0.4114    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6727    0.3409    0.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2322    0.3583   -1.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5178   -0.7329   -0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1435    0.9630    0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6281   -0.3312    1.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3588   -0.1649    1.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4397   -1.5046    0.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717    1.5249   -0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0385    1.9168    0.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    1.5811    1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161   -1.8062   -1.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3660   -1.4314   -1.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2861   -1.2605   -0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3173    1.1837    1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7300    0.1270    0.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4191   -0.5917   -1.9072 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