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
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
5.2326 -0.1455 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1855 0.6439 -0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8860 0.1400 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6482 -1.1628 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3541 -1.4964 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3059 -0.5981 0.7256 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5515 0.7046 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8355 1.0591 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0504 -0.9845 1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1442 -1.8787 1.9940 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2073 -0.3599 0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1902 0.2201 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3267 0.8214 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5024 0.8545 -0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5082 0.2697 0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3857 -0.3330 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1871 -1.1736 -0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2039 0.2858 -0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3156 1.7024 -0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4567 -1.8869 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1604 -2.5148 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2664 1.4485 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0169 2.0981 -0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 0.1948 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2848 1.2679 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3602 1.3329 -0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4087 0.2784 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4052 -0.7876 2.2115 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