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
6.1904 -0.3455 -0.6996 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1497 0.5940 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4695 1.8353 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7566 0.1836 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3633 -0.9875 -0.2975 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7936 1.0565 0.4136 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4650 0.7111 0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6251 0.7919 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7431 0.4618 -0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2734 0.0421 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4287 -0.0408 1.8731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9028 0.2890 1.7642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9732 -0.4701 3.0946 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6660 -0.2650 0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1403 -0.3335 2.1623 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6179 -0.5125 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2368 -1.0922 -1.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1975 -1.2550 -2.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5054 -0.8533 -2.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8413 -0.2743 -0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9436 -0.0928 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8004 -0.6524 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6554 -1.2283 -1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8320 0.0958 -1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4961 2.2155 -0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7170 2.5182 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9764 1.1158 -1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3617 0.5736 -1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5211 0.2108 2.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4031 -0.5485 3.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2301 -1.4508 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8583 -1.7172 -3.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2394 -0.9929 -2.9478 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8597 0.0516 -0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1948 0.3658 1.0392 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