Monomers
4-Benzoyl-3-hydroxyphenyl methacrylate
Identifiers
IUPAC name
(4-benzoyl-3-hydroxyphenyl) 2-methylprop-2-enoate
InchI
InChI=1S/C17H14O4/c1-11(2)17(20)21-13-8-9-14(15(18)10-13)16(19)12-6-4-3-5-7-12/h3-10,18H,1H2,2H3
InchI Key
IMNBHNRXUAJVQE-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)Oc1ccc(c(c1)O)C(=O)c1ccccc1
Canonical SMILES
CC(=C)C(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
Isomeric SMILES
CC(=C)C(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C17H14O4
Heavy Atom Count
21
Molecular Weight
282.295
Exact Molecular Weight
282.0892
Valence Electrons
106
Radical Electrons
0
tPSA
63.6
MolLogP
3.1047
H Bond Acceptors
4
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
35 36 0 0 0 0 0 0 0 0999 V2000
5.8707 0.0930 1.9067 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1752 -0.1640 0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8604 -0.5604 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7455 0.0241 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0745 0.4099 1.5684 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0190 -0.1954 -0.6075 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6470 -0.0114 -0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7133 -0.9696 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6441 -0.6501 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0975 0.5786 -0.8971 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1398 1.5308 -1.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1985 1.2270 -1.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5482 2.8146 -1.6190 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4932 0.8777 -1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7508 1.9648 -1.7176 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6374 0.1260 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6754 -0.6490 0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8045 -1.3796 0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9421 -1.3409 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9219 -0.5643 -0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8133 0.1553 -1.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0142 -0.8959 2.3923 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2152 0.7159 2.5536 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8741 0.5439 1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9489 -0.7035 -0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4264 -0.7711 -1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0524 -1.9444 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3226 -1.4770 -0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8984 2.0364 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1015 3.5279 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7943 -0.6697 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7693 -1.9842 1.8466 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8259 -1.9008 0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8450 -0.5562 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8097 0.7617 -2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
11 13 1 0
10 14 1 0
14 15 2 0
14 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
12 7 1 0
21 16 1 0
1 22 1 0
1 23 1 0
1 24 1 0
3 25 1 0
3 26 1 0
8 27 1 0
9 28 1 0
12 29 1 0
13 30 1 0
17 31 1 0
18 32 1 0
19 33 1 0
20 34 1 0
21 35 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers