Monomers
p-Phenoxystyrene
Identifiers
IUPAC name
1-ethenyl-4-phenoxybenzene
InchI
InChI=1S/C14H12O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h2-11H,1H2
InchI Key
UULPGUKSBAXNJN-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Oc1ccccc1
Canonical SMILES
C=CC1=CC=C(C=C1)OC2=CC=CC=C2
Isomeric SMILES
C=CC1=CC=C(C=C1)OC2=CC=CC=C2
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H12O
Heavy Atom Count
15
Molecular Weight
196.249
Exact Molecular Weight
196.0888
Valence Electrons
74
Radical Electrons
0
tPSA
9.23
MolLogP
4.1219
H Bond Acceptors
1
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
27 28 0 0 0 0 0 0 0 0999 V2000
5.0056 0.6258 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4486 -0.3150 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0083 -0.4763 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4625 -1.5146 0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1003 -1.6148 0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2384 -0.7389 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8043 0.2603 -0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1778 0.3847 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0715 -0.9324 0.4286 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2054 -0.2278 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3234 1.1427 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5552 1.7904 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7156 1.0681 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6182 -0.3057 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4116 -0.9406 0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1152 0.6415 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5141 1.3782 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0496 -1.0592 0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1214 -2.1974 1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6317 -2.4209 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2137 0.9857 -1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5658 1.2150 -1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4201 1.7447 0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5768 2.8780 0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6836 1.5484 -0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5374 -0.8916 -0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3385 -2.0283 0.1479 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
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
8 3 1 0
15 10 1 0
1 16 1 0
1 17 1 0
2 18 1 0
4 19 1 0
5 20 1 0
7 21 1 0
8 22 1 0
11 23 1 0
12 24 1 0
13 25 1 0
14 26 1 0
15 27 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers