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
Resources
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
4.9721 0.7849 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1147 1.0412 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8057 0.4159 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3653 -0.5120 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0958 -1.0714 -0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 -0.7182 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7302 0.2209 1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9806 0.7593 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9747 -1.2758 0.8402 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1375 -0.7818 0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8551 0.1268 1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0257 0.6134 0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4779 0.2175 -0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7553 -0.6976 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5837 -1.1854 -0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9164 1.2863 -0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7406 0.0747 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4167 1.7793 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9503 -0.8366 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7409 -1.8119 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0900 0.5112 2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3095 1.5043 2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5304 0.4634 2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6054 1.3349 1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3930 0.6396 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1418 -0.9800 -2.4351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0297 -1.9029 -1.5366 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