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
5.8558 0.2064 -1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2168 -0.1114 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9826 -0.2115 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7890 -0.3043 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2270 -0.5720 1.4995 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9401 -0.2038 -0.7083 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5755 -0.3976 -0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7689 0.6903 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6190 0.5604 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2123 -0.6736 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3869 -1.7777 -0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9696 -1.6292 -0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9511 -3.0383 -0.5669 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6164 -0.9006 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0115 -2.1123 0.1639 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6476 0.0908 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6319 1.2506 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6357 2.1963 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6876 1.9875 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7539 0.8407 0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7490 -0.0927 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9564 1.3250 -1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8615 -0.2890 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2626 -0.1174 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0543 -0.0852 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5232 -0.4436 2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1675 1.6992 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1821 1.4640 0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5944 -2.4910 -0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3632 -3.8306 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8080 1.4241 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5731 3.0868 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4725 2.7453 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6114 0.7041 1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8320 -0.9896 1.4475 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