Monomers

3-Vinylphenol

Identifiers

IUPAC name
3-ethenylphenol
InchI
InChI=1S/C8H8O/c1-2-7-4-3-5-8(9)6-7/h2-6,9H,1H2
InchI Key
YNGIFMKMDRDNBQ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)O
Canonical SMILES
C=CC1=CC(=CC=C1)O
Isomeric SMILES
C=CC1=CC(=CC=C1)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H8O
Heavy Atom Count
9
Molecular Weight
120.151
Exact Molecular Weight
120.0575
Valence Electrons
46
Radical Electrons
0
tPSA
20.23
MolLogP
2.0352
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

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.9714   -0.2466    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8624   -0.8631   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5485   -0.2704    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820    1.0421    0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869    1.6365    0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9521    0.8545    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -0.4633   -0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5928   -1.0153   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9824   -1.2194   -0.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931    0.7811    0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9545   -0.7323    0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9411   -1.9182   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2366    1.6636    0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9740    2.6903    0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9423    1.3272    0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267   -2.0390   -0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2840   -1.2276   -1.5712 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
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers