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
    2.6194   -1.1783    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1111    0.0088    0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6919    0.2460    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1299    1.5092    0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129    1.7430    0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0686    0.7482   -0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5363   -0.5026   -0.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1779   -0.7351   -0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4045   -1.5010   -0.9049 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6930   -1.3007    0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1118   -2.0600   -0.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.8512    0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880    2.3055    0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6605    2.7175    0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1280    0.9210   -0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561   -1.7286   -0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8416   -2.0440   -0.1464 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