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
    2.7659   -0.4446    0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0647    0.4403    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6325    0.3015   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0526    1.2971   -0.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4088    1.2270   -1.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1388    0.1533   -0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951   -0.8368    0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149   -0.7496    0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2123   -1.9289    0.6517 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3056   -1.3124    1.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8533   -0.3314    0.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.2963   -0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550    2.1178   -1.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    2.0181   -1.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2022    0.1398   -0.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720   -1.5449    0.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5948   -1.8426    1.5849 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