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
    2.6672   -1.0575   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0427    0.0878   -0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043    0.2825   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0485    1.5378   -0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2977    1.7499   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1441    0.7180    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5771   -0.5333    0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247   -0.7686    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214   -1.6130    0.6768 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7286   -1.1262   -0.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1188   -1.9420   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539    0.9569   -0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6646    2.3982   -0.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7557    2.7444   -0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2134    0.8810    0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453   -1.7862    0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399   -2.5296    0.7748 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