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
   -3.9021    0.2446   -1.2249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5108    0.2364   -1.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9960   -0.4655    0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -0.4192    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0972    0.8139    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4981    0.8792    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.2605   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6003   -1.4939   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2272   -1.5596   -0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7050   -0.2791   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4249    0.8111    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5877    0.2157    1.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3245    0.5421   -0.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1660   -0.2647   -2.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1486    1.2990   -1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3203   -1.5236    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4671    1.7440    0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9598    1.8445    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711   -2.4224   -0.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039   -2.5122   -0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2443   -1.2094   -0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5048    0.8311   -0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    1.7628    0.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110    1.3101    1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0499    0.0556    2.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6262   -0.1799    1.4247 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