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
6.0446 1.4027 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0854 0.5981 0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4723 0.0489 1.7868 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7181 0.4140 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2843 0.9119 -0.8721 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8147 -0.3467 0.9467 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5025 -0.5386 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5173 0.3443 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7706 0.1019 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1379 -0.9554 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0844 -1.8238 -0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2024 -1.6171 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4064 -2.9011 -1.4949 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4813 -1.2508 -0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7437 -2.3694 -1.3090 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5852 -0.3126 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8745 -0.7889 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9678 0.0318 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7691 1.3797 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5184 1.8798 -0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4432 1.0330 -0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8400 2.4904 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9237 1.0839 -1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0817 1.1611 0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4843 0.1911 2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8070 -0.5409 2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7258 1.2116 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5220 0.8025 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9543 -2.3317 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2421 -3.5887 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9841 -1.8713 -0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9724 -0.3657 -0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6103 2.0840 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3742 2.9705 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4551 1.4618 -1.1271 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