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
   -4.1570   -0.4732   -0.3566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.7928    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9311    0.2058   -0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5193    0.0359   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403    0.0336    1.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2953   -0.1271    1.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -0.2982    0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759   -0.2970   -0.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134   -0.1326   -1.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446   -0.4641    0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6320   -0.6334   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4165    1.6047   -0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4880    0.3383    0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6686   -1.8214   -0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8729   -0.8372    1.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532    0.1704   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7671    0.1650    1.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360   -0.1231    2.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4975   -0.4283   -1.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1008   -0.1409   -2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8975   -0.4477    1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6518   -0.7532    0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4178   -0.6548   -1.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077    2.2485   -0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1007    2.0243   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289    1.5984    0.8878 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