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
8.3204 -1.2287 1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3090 -1.7674 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3939 -0.9351 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4307 -1.4369 -0.9942 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6159 0.4031 -0.4464 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8941 1.3562 -1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4757 1.5725 -0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6869 0.4216 -0.8906 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3386 0.4055 -0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7748 1.5705 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4140 1.6154 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3644 0.4929 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 -0.6716 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5444 -0.7100 -0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7669 0.5816 0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3146 1.6278 0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5492 -0.5397 0.2654 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8923 -0.5800 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7813 -0.2688 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1416 -0.2885 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6447 -0.6207 1.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7260 -0.9254 2.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3628 -0.9158 1.8125 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0179 -0.6425 1.2561 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8873 -0.3209 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9755 -1.8557 1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5490 -0.1732 1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1264 -2.8273 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9244 1.1884 -2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4734 2.3265 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0759 2.3723 -1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3596 2.0357 0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3677 2.4666 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0157 2.5462 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3799 -1.5803 -0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9841 -1.6135 -1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4039 -0.0023 -1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7831 -0.0342 -1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1294 -1.1885 2.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6594 -1.1622 2.6099 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9194 -0.2822 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6231 0.6649 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8904 -1.0764 -0.5854 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