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
    4.4979    0.9423    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939   -0.0444    0.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3388   -0.1775    0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5763   -1.2649    0.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2738   -1.4221    0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2677   -0.4850   -0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638    0.6015   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7733    0.7475   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600   -0.6004   -0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5878    0.1201    0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2407    1.4635    0.2047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0039   -0.0688   -0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984    1.7355    0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5183    1.0197    1.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1115   -0.8001    1.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0495   -1.9762    1.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2957   -2.2798    0.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0577    1.3634   -1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3217    1.6294   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0023   -1.6591   -0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7764   -0.1566   -1.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4016   -0.3513    1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012    1.9947   -0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1135   -0.9236   -1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3753    0.8661   -0.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6489   -0.2739    0.5279 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