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
3.3974 1.3315 4.4584 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8124 1.6390 3.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0192 2.0704 2.8263 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8658 1.4647 1.9424 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2143 1.7262 0.7647 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5833 1.0069 2.2168 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6905 0.8434 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5499 -0.3651 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -0.5667 -0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1305 0.4917 -0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0125 1.7081 -0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1031 1.8637 0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 2.7814 -0.7439 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9803 0.2371 -2.1403 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4133 1.1859 -2.8859 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4184 -1.0817 -2.5657 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6338 -2.1024 -1.6831 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0203 -3.3807 -2.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1963 -3.6456 -3.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9882 -2.6398 -4.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6057 -1.3769 -3.9221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7561 2.0917 5.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3043 1.1974 4.5308 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8540 0.3483 4.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3252 2.2932 1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7141 2.2059 3.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1750 -1.1854 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3966 -1.5138 -1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0287 2.8336 1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4403 2.8242 -1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5517 -2.0034 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1862 -4.1805 -1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4965 -4.6554 -3.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1296 -2.8561 -5.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4424 -0.5905 -4.6267 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