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
    4.6607   -0.0531    0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372    0.0728   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033   -0.1295   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6160    0.0347   -1.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -0.1482   -1.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3696   -0.4885   -0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987   -0.6453    0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.4702    0.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8198   -0.6745   -0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5554    0.6146    0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1252    1.0724    1.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0349    0.3031    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7126    0.1070    0.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3082   -0.3145    1.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2461    0.3411   -1.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0499    0.3005   -2.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3878   -0.0283   -2.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0567   -0.9149    1.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3674   -0.6054    1.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1641   -0.9692   -1.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1539   -1.4435    0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4353    1.3777   -0.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3474    2.0238    1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2878   -0.5261   -0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6195    1.2021   -0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2823   -0.0388    1.2542 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