Monomers

2-(4-Ethenylphenyl)propan-1-ol

Identifiers

IUPAC name
2-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)9(2)8-12/h3-7,9,12H,1,8H2,2H3
InchI Key
IWONVDRULKJRQP-UHFFFAOYSA-N
SMILES
OCC(c1ccc(cc1)C=C)C
Canonical SMILES
CC(CO)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(CO)C1=CC=C(C=C1)C=C
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
2.4254
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
    4.0331   -0.0821   -1.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -0.4350   -1.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692    0.5780   -0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5203    0.2137   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483    1.0512   -0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.7179   -0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278   -0.4489   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2289   -1.2810    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1096   -0.9569    0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6165   -0.8193    0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5993   -0.0873   -0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6249    0.6647    1.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1842    0.8828   -1.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453   -0.3676   -2.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -1.4608   -0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0885    1.5551   -0.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1766    1.9904   -1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5645    1.3886   -1.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5647   -2.2093    0.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8710   -1.6149    0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8617   -1.7721    0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6440   -0.4176   -0.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5098    0.8654   -0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2551    1.5698    1.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8246    0.7283    1.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2382   -0.2531    1.2059 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
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  0
 11 23  1  0
 12 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers