Monomers

Methanone, (4-ethenylphenyl)phenyl-

Identifiers

IUPAC name
(4-ethenylphenyl)-phenylmethanone
InchI
InChI=1S/C15H12O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h2-11H,1H2
InchI Key
SHMWGXIEPCHLGC-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C(=O)c1ccccc1
Canonical SMILES
C=CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Isomeric SMILES
C=CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C15H12O
Heavy Atom Count
16
Molecular Weight
208.26
Exact Molecular Weight
208.0888
Valence Electrons
78
Radical Electrons
0
tPSA
17.07
MolLogP
3.5606
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 28 29  0  0  0  0  0  0  0  0999 V2000
    4.9977   -0.0258   -0.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3767    0.2969    0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343    0.3755    0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3574    0.7284    1.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9986    0.8161    1.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1935    0.5603    0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294    0.2156   -0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1112    0.1253   -0.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407    0.6848    0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882    1.4934    1.7819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2516   -0.0407    0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4992    0.4970   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4926   -0.1841   -0.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2174   -1.4365   -1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705   -1.9806   -1.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0047   -1.2898   -0.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4673   -0.2412   -1.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0764   -0.0731   -0.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9519    0.5148    1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880    0.9311    2.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456    1.0900    2.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960    0.0177   -1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5177   -0.1490   -1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7258    1.4703    0.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4574    0.2908   -0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0089   -1.9311   -1.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7658   -2.9530   -1.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0191   -1.7116   -0.2183 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
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  8  3  1  0
 16 11  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  4 20  1  0
  5 21  1  0
  7 22  1  0
  8 23  1  0
 12 24  1  0
 13 25  1  0
 14 26  1  0
 15 27  1  0
 16 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers