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
    4.5168    0.0330   -0.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -0.3490   -1.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1471   -0.4427   -0.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0634   -0.8576   -1.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2031   -0.9473   -0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403   -0.6349    0.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158   -0.2275    1.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050   -0.1299    0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7798   -0.7373    0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6008    0.5179    0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8610    0.2495    1.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8620    0.8376   -0.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5076    0.0937   -0.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908    0.3110    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6158   -0.6037   -2.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242   -1.1118   -2.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0336   -1.2653   -1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    0.0238    2.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6671    0.1967    1.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3882   -1.5540    0.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153   -1.0352    2.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1795    1.3732    1.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7641   -0.2411    2.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6733    1.5935   -0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2013   -0.1372   -1.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791    1.2035   -1.1609 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