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
4.8723 0.9959 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1381 0.0228 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7669 -0.2450 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1239 0.5457 -0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7957 0.2886 -1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1219 -0.7610 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7348 -1.5753 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0397 -1.2946 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1884 -1.0388 -1.1156 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2092 -0.4423 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6620 0.7795 -0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6812 1.3857 -0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2011 0.7700 1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7340 -0.4564 1.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7231 -1.0655 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4678 1.6741 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8890 1.1548 0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5952 -0.6452 1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5839 1.3984 -1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3074 0.9144 -2.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1903 -2.4204 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5455 -1.9184 1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2597 1.2696 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0382 2.3515 -0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9987 1.2882 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1329 -0.9464 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3437 -2.0300 1.0649 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