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
   -3.5893   -1.1565    1.9733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3114   -1.2256    1.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9265    0.1402    0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5539    0.1038    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357   -0.2817    1.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8246   -0.3348    0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0191    0.0323   -0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9713    0.4218   -1.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3178    0.4553   -1.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589   -0.0200   -1.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6811    0.2959   -2.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9340    1.1254    2.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2466   -1.4338    1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5893   -1.5257    2.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.9801    0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6706    0.4609    0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526   -0.5620    2.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632   -0.6463    1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0679    0.7160   -2.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534    0.7687   -1.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1970   -0.3380   -0.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7112    0.2428   -2.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9325    0.6140   -3.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8749    1.2715    2.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3156    2.1212    1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4985    0.7347    2.8803 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