Monomers

1-(4-Vinylphenyl)-2-propanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)propan-2-ol
InchI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)8-9(2)12/h3-7,9,12H,1,8H2,2H3
InchI Key
LLWNVRSHEMAPGD-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)CC(O)C
Canonical SMILES
CC(CC1=CC=C(C=C1)C=C)O
Isomeric SMILES
CC(CC1=CC=C(C=C1)C=C)O
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
2.2529
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
   -4.5627   -0.7134    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7615   -0.0802   -0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3368    0.1236   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016   -0.3527    1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3514   -0.1282    1.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708    0.5589    0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2386    1.0461   -0.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926    0.8224   -0.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188    0.7861    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361   -0.3570   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2315   -1.5135    0.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0794   -0.1058    0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2269   -1.1440    1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6105   -0.8261    0.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1753    0.3376   -1.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2662   -0.9077    1.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1226   -0.5224    2.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3523    1.5847   -1.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0775    1.2090   -1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1384    1.7396    0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0955    0.8148    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5075   -0.3984   -1.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3691   -1.8569    0.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7909   -0.7313   -0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2711    0.9772    0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176   -0.3624    1.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  8  3  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 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