Monomers
4-[2-(Acryloyloxy)ethoxy]benzoic acid 4-methoxyphenyl ester
Identifiers
IUPAC name
(4-methoxyphenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C19H18O6/c1-3-18(20)24-13-12-23-16-6-4-14(5-7-16)19(21)25-17-10-8-15(22-2)9-11-17/h3-11H,1,12-13H2,2H3
InchI Key
FJYJQYRUKLDXEE-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC
Canonical SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Isomeric SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C19H18O6
Heavy Atom Count
25
Molecular Weight
342.347
Exact Molecular Weight
342.1103
Valence Electrons
130
Radical Electrons
0
tPSA
71.06
MolLogP
3.0224
H Bond Acceptors
6
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
43 44 0 0 0 0 0 0 0 0999 V2000
7.0742 -2.3253 2.9071 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5024 -2.2509 1.7327 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4589 -3.1985 1.3834 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0959 -4.0992 2.2124 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8273 -3.1728 0.1683 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8080 -4.0589 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4394 -3.6413 -1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9618 -2.3686 -1.8229 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8278 -1.7894 -1.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8541 -2.4239 -0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2933 -1.7596 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4558 -0.4475 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5223 0.1828 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6623 -0.4234 -1.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6233 0.3443 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5327 -0.2356 0.5200 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7765 1.6666 -0.4224 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8621 2.4623 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8772 3.1462 1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9593 3.9352 1.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0539 4.0809 0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0573 3.4086 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9648 2.6297 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1289 4.8798 0.9808 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2184 5.0106 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8541 -1.6246 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7836 -3.0647 3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7830 -1.5050 1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9466 -4.0690 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2032 -5.1195 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3251 -3.8040 -2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6888 -4.4043 -2.0331 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9273 -3.4773 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0484 -2.2744 0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3903 1.2507 -1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4127 0.0968 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0515 3.0645 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9966 4.4854 2.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9144 3.5209 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9709 2.1029 -1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0516 5.5376 0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6287 4.0605 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8833 5.6714 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
12 15 1 0
15 16 2 0
15 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
21 24 1 0
24 25 1 0
14 9 1 0
23 18 1 0
1 26 1 0
1 27 1 0
2 28 1 0
6 29 1 0
6 30 1 0
7 31 1 0
7 32 1 0
10 33 1 0
11 34 1 0
13 35 1 0
14 36 1 0
19 37 1 0
20 38 1 0
22 39 1 0
23 40 1 0
25 41 1 0
25 42 1 0
25 43 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers