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
   -3.9954   -1.1970   -0.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6041   -1.2138   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0057    0.1372    0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5504    0.0772   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0923   -0.1408   -1.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595   -0.1868   -1.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.0114   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.2069    0.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2564    0.2494    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266   -0.0652   -0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5059    0.0959    0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6550    1.2148   -0.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1711   -0.5308    0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2273   -1.9377    0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825   -1.5779   -1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2737    0.3229    1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5568   -0.2777   -2.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554   -0.3597   -2.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213    0.3491    1.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1996    0.4276    1.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533   -0.2399   -1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1982    0.2765    1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5885    0.0499    0.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095    1.4852   -0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9324    0.7466   -1.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106    2.0997   -0.8627 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