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
    4.6777    0.6025   -0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807   -0.2841   -1.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209   -0.2087   -0.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5128   -1.2009   -0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2293   -1.1742   -0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614   -0.1825    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.7595    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9577    0.7667    0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6546   -0.2710    0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6357    0.4221   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5591   -0.1119   -1.4708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0355    0.1166    0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4266    1.4126   -0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7187    0.5376   -1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663   -1.0861   -1.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -1.9670   -1.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359   -1.9754   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043    1.5461    1.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6199    1.5584    0.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524   -1.3403    0.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7555    0.1318    1.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5522    1.5006   -0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2135    0.4041   -2.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0225   -0.8823    0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4029    0.9251    1.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7656    0.0009   -0.4727 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