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
-4.9449 0.6033 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1442 0.0358 -0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7733 -0.3135 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1925 -0.0864 0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8722 -0.4455 1.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0905 -1.0380 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6559 -1.2716 -1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9606 -0.9131 -1.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2102 -1.3960 0.2866 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2157 -0.4683 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9233 0.7907 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9379 1.6661 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2322 1.2933 -0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5176 0.0221 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5088 -0.8826 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9818 0.8597 -0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6619 0.8540 1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5116 -0.1800 -1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7552 0.3746 1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4336 -0.2529 2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0632 -1.7355 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4117 -1.0957 -2.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8808 1.0752 -0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7101 2.6699 -1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0493 1.9804 -0.6776 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5466 -0.2664 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7207 -1.8796 0.6402 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