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
    4.6683    0.3915    0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7973   -0.5755    0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764   -0.3729    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5479   -1.4931    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2204   -1.2834   -0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410   -0.0532   -0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5012    1.0337   -0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8452    0.8826   -0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7961    0.1029   -0.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.3290    0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590   -0.7147    1.3372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0019    0.5402    0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4443    1.4169    0.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7139    0.1819    0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1411   -1.5832    0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635   -2.4696    0.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -2.1897   -0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1283    2.0243   -0.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113    1.7317   -0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1331   -0.8283   -1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9327    0.9637   -1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187    1.2428    0.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1827   -1.0878    1.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5164   -0.4206    0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4110    0.9830    1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1495    1.2477   -0.6251 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