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
   -4.0366    0.3915    0.8262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6662    0.4547    0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -0.3616   -0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5544   -0.2035   -0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347   -1.2915    0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6272   -1.2068    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2335    0.0119    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4436    1.1003   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0738    1.0171   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732    0.1224    0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4784   -0.8782    0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5230    0.0177   -1.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3681    0.2821    1.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3006    1.5120    0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847    0.0384    1.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2948   -1.4209   -0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2610   -2.2379    0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643   -2.1146    0.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9513    2.0453   -0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4907    1.9080   -0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1156    1.1238    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1540   -1.8831    0.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5397   -0.6787    0.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -0.5920   -1.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7226    1.0900   -1.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399   -0.3247   -2.3627 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