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
   -4.7267    0.2347    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8290   -0.6429   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4168   -0.3272   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9071    0.9307   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5474    1.1384   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501    0.1672   -0.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1615   -1.0929   -0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5131   -1.3222   -0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8040    0.4544   -0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    0.2132    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351   -1.1513    0.8593 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0285    0.4047    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4531    1.2432    0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7609   -0.0512    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1470   -1.6651   -0.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5579    1.7518    0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931    2.1572   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648   -1.9170   -1.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9461   -2.3035   -0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1774   -0.2166   -1.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847    1.4915   -1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1535    0.8357    1.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0748   -1.6892    0.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761    1.0639    1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    0.8638   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5798   -0.5714    0.3945 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