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
   -2.4664    1.5880   -1.7168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8178    0.8823   -0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0830   -0.4185   -0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6335   -0.2893   -0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0398    0.4492    0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    0.5129    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1382   -0.1119   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -0.8438   -1.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424   -0.9248   -1.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5744   -0.0024   -0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002    0.6651    0.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -1.1838    0.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5993    2.0188   -1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9151    0.7328   -0.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5426    1.5089    0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381   -1.0433   -1.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616    0.9316    1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7434    1.1088    1.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1716   -1.3174   -1.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2995   -1.5093   -2.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1639   -0.5176   -0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7065    1.1967    1.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2940    0.7249    0.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5968   -0.8371    0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8869   -1.0308    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5455   -2.2900    0.5878 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