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
   -2.0668   -1.6921    1.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6813   -1.2880   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5770   -0.3783   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1978    0.0292   -1.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8470    0.8942   -1.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5636    1.3919   -0.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2299    1.0215    0.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582    0.1371    0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444    1.5161    1.6655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8999   -2.3790    1.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5528   -1.3437    1.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2494   -1.6814   -0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7711   -0.3722   -2.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1335    1.2038   -2.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    2.0826   -0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -0.1093    1.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7632    0.9678    1.9742 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