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
    2.5046    1.2786    0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274    0.1743   -0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273   -0.1833   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062   -1.3960   -0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170   -1.7255   -0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0631   -0.9081   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6431    0.2802    0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888    0.6488    0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507    1.1371    1.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8669    1.9893    0.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5608    1.5209    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7294   -0.5145   -0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9664   -2.0294   -1.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220   -2.6791   -1.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100   -1.2206   -0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377    1.6127    0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2567    2.0146    1.4178 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