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
5.1517 -0.6638 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0007 -1.1701 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7420 -0.4540 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5737 -1.0480 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3454 -0.4318 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2717 0.8469 0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 1.4535 0.9158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6646 0.8231 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9535 1.4890 0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1135 0.8799 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8546 0.1215 1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0228 -0.5165 0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4800 -0.4043 -0.6229 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7623 0.3382 -1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5789 0.9875 -1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2502 0.3224 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0420 -1.2612 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9864 -2.1777 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6141 -2.0627 -0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5791 -0.9102 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3735 2.4698 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5175 1.3529 1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5183 0.0148 2.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5782 -1.1060 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3889 -0.9031 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1034 0.4385 -2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0195 1.5712 -1.8909 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