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
    5.2693   -1.0253    0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2562   -0.9612   -0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9538   -0.4643   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8860   -0.4489   -1.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263    0.0175   -0.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3820    0.4964    0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4614    0.4781    1.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200    0.0136    0.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9198    0.9813    0.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9003    1.8423    1.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1858    0.5651    0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4057   -0.6212   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6663   -0.9199   -0.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7289   -0.0457   -0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5063    1.1725    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2600    1.4423    0.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2672   -0.7375    1.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2555   -1.4029   -0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4150   -1.2836   -1.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639   -0.8213   -2.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910    0.0278   -1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2702    0.8576    2.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5169    0.0287    1.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6287   -1.3609   -0.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8365   -1.8693   -1.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7148   -0.2565   -0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3186    1.8941    0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0811    2.4012    1.0060 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