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
-5.0487 -0.5719 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2558 0.0728 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8649 0.3328 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2689 -0.0560 1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9268 0.2197 1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1541 0.8966 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7449 1.2906 -0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0638 1.0281 -1.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1726 1.2122 0.6208 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2306 0.4248 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5247 0.8338 0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6120 0.0443 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4359 -1.1777 -0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1439 -1.5910 -0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0594 -0.7933 -0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7848 -0.9606 1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0984 -0.7586 0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6677 0.4142 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 -0.5952 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5018 -0.1014 2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1250 1.8387 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5034 1.3525 -1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6983 1.7856 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6255 0.3738 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2925 -1.7972 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0209 -2.5520 -1.1974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0625 -1.1657 -0.5651 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