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
6.1536 -0.9435 0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2609 -0.0303 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7466 1.0058 -0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8388 -0.2957 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3562 -1.2765 0.6650 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9423 0.5121 -0.6324 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5743 0.2483 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7314 0.8018 0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6457 0.5458 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1973 -0.2943 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3313 -0.8458 -1.5782 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0257 -0.5844 -1.5797 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9049 -1.6905 -2.5359 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5904 -0.6365 -0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9387 -1.6322 -1.4063 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6766 -0.0206 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7324 1.2957 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7927 1.8268 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8386 1.0199 1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8116 -0.3057 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7487 -0.8143 0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5243 -1.7294 0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0589 -0.4324 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6246 -1.4047 1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1361 1.6886 -1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8176 1.2112 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1834 1.4589 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2302 0.9991 1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6465 -1.0503 -2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3443 -2.1361 -3.2603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9637 2.0069 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8167 2.8744 1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6624 1.4503 2.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6328 -0.9588 1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7622 -1.8639 0.2150 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