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
5.6599 0.5803 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0661 -0.3167 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8196 -1.1714 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 -0.2571 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1389 -1.0233 -0.9343 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8744 0.6663 0.6348 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5146 0.7455 0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6457 -0.0336 1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6859 0.0752 0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1750 0.9437 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2865 1.7212 -0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0721 1.6040 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6534 2.6152 -1.8407 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6228 1.0444 -0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0839 2.0621 -0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5185 -0.0005 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7788 0.3455 0.6576 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6788 -0.6074 1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3702 -1.9477 1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1388 -2.3127 0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2297 -1.3356 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8730 1.5544 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.1570 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9289 0.8412 2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8964 -1.2692 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4168 -1.8511 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0584 -0.7020 1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3454 -0.5389 1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 2.2297 -1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5439 2.8136 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0022 1.4091 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6491 -0.3342 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0906 -2.6997 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8694 -3.3549 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2688 -1.6521 -0.3118 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