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
4.8930 0.3256 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1602 0.8860 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8375 0.3488 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1108 0.9838 0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8682 0.5252 1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3042 -0.5667 0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0461 -1.1861 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3244 -0.7456 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9685 -1.0281 0.8288 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1186 -0.5710 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1579 0.3577 -0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3543 0.7653 -1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5451 0.2398 -0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5122 -0.7015 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3168 -1.1014 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8732 0.7546 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6295 -0.5230 -2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5384 1.7717 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5141 1.8614 1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 1.0082 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6595 -2.0430 -1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8715 -1.2638 -1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2260 0.7814 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3663 1.5015 -2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4818 0.5682 -1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4731 -1.0990 0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3720 -1.8502 1.4398 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