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
-5.8788 1.5539 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1352 0.3802 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7588 -0.5119 0.9423 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7225 0.2401 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1532 1.1156 -0.7496 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9641 -0.8320 0.3979 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6022 -0.8858 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6861 -0.2856 0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6673 -0.2822 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1316 -0.9198 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2484 -1.5341 -1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1265 -1.5059 -1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6137 -2.1776 -2.4970 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5524 -0.9656 -0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9975 -1.8101 -1.5335 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5562 -0.1418 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8198 -0.6741 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8005 0.0969 0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5752 1.4266 1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3483 1.9686 0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3590 1.1756 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8941 1.4567 -1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9019 1.6124 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3611 2.5151 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8082 -0.4149 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2308 -1.3703 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0639 0.2024 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3549 0.1877 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8228 -1.9741 -1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4331 -2.3585 -2.9613 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0084 -1.7115 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7847 -0.2848 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3119 2.0671 1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1418 3.0066 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4052 1.6350 0.0549 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