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
   -4.3827    0.8518   -0.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    0.0823   -1.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1790   -0.0882   -0.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8182    0.5343    0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5595    0.3432    1.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.4699    0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -1.0946   -0.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2176   -0.9174   -1.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046   -0.6638    1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    0.3350    0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241    0.0509    1.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178    0.3066   -0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3719    1.0062   -1.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1905    1.3729    0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6799   -0.4606   -2.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869    1.1929    1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122    0.8461    2.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.7635   -1.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4995   -1.4091   -2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6471   -0.5547    2.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0431   -1.7093    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3999    1.3354    1.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6904   -0.2112    2.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3914    1.2917   -1.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6611   -0.4676   -1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9822    0.2605   -1.3925 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